(2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-2-carboxamide;dihydrochloride

C17H34Cl2N6O3 — CID 45260967

IUPAC(2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-2-carboxamide;dihydrochloride
SMILESCC(C)N(CC(=O)N[C@H](C=O)CCCN=C(N)N)C(=O)[C@H]1CCCCN1.Cl.Cl
InChIInChI=1S/C17H32N6O3.2ClH/c1-12(2)23(16(26)14-7-3-4-8-20-14)10-15(25)22-13(11-24)6-5-9-21-17(18)19;;/h11-14,20H,3-10H2,1-2H3,(H,22,25)(H4,18,19,21);2*1H/t13-,14+;;/m0../s1
InChIKeyCFSDVVLBABUCGS-WICJZZOFSA-N
MW441.40 g/mol
LogP-0.05
Rot. Bonds10

About (2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-2-carboxamide;dihydrochloride

(2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-2-carboxamide;dihydrochloride (PubChem CID 45260967) has the molecular formula C17H34Cl2N6O3 and a molecular weight of 441.40 g/mol. Its IUPAC name is (2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-2-carboxamide;dihydrochloride
PubChem CID45260967
Molecular FormulaC17H34Cl2N6O3
Molecular Weight441.40 g/mol
Exact Mass440.21
IUPAC Name(2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-2-carboxamide;dihydrochloride
SMILESCC(C)N(CC(=O)N[C@H](C=O)CCCN=C(N)N)C(=O)[C@H]1CCCCN1.Cl.Cl
InChIInChI=1S/C17H32N6O3.2ClH/c1-12(2)23(16(26)14-7-3-4-8-20-14)10-15(25)22-13(11-24)6-5-9-21-17(18)19;;/h11-14,20H,3-10H2,1-2H3,(H,22,25)(H4,18,19,21);2*1H/t13-,14+;;/m0../s1
InChIKeyCFSDVVLBABUCGS-WICJZZOFSA-N
XLogP-0.05
TPSA142.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.40
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-2-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-2-carboxamide
CID 15408076
(2S)-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 22854913
methyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate
CID 60947765
2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetic acid
CID 61159901
N-propan-2-yl-N-prop-2-enylazepane-2-carboxamide
CID 64562282
2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide
CID 18755169
(2R)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide
CID 20610969
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]azepane-2-carboxamide
CID 64562456
benzyl N-[(2R)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-(piperidine-2-carbonyl)amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 163688495
5-(diaminomethylideneamino)-2-[2-[N-(pyrrolidine-2-carbonyl)anilino]propanoylamino]pentanoic acid
CID 23184423
N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2,2-dimethylpropanamide
CID 89004311
(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid
CID 10102216

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-2-carboxamide;dihydrochloride (CID 45260967) is (2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-2-carboxamide;dihydrochloride is CC(C)N(CC(=O)N[C@H](C=O)CCCN=C(N)N)C(=O)[C@H]1CCCCN1.Cl.Cl.
What is the InChIKey of (2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-2-carboxamide;dihydrochloride?
The InChIKey is CFSDVVLBABUCGS-WICJZZOFSA-N. The full InChI is InChI=1S/C17H32N6O3.2ClH/c1-12(2)23(16(26)14-7-3-4-8-20-14)10-15(25)22-13(11-24)6-5-9-21-17(18)19;;/h11-14,20H,3-10H2,1-2H3,(H,22,25)(H4,18,19,21);2*1H/t13-,14+;;/m0../s1.
What are the key properties of (2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-2-carboxamide;dihydrochloride?
(2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-2-carboxamide;dihydrochloride has a molecular weight of 441.40 g/mol, XLogP of -0.05, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 45260967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).