N-cyclopropyl-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]propanamide;dihydrochloride

C16H30Cl2N4O2 — CID 119839022

IUPACN-cyclopropyl-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]propanamide;dihydrochloride
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)[C@H]2CCCCN2)CC1.Cl.Cl
InChIInChI=1S/C16H28N4O2.2ClH/c1-12(15(21)18-13-5-6-13)19-8-10-20(11-9-19)16(22)14-4-2-3-7-17-14;;/h12-14,17H,2-11H2,1H3,(H,18,21);2*1H/t12?,14-;;/m1../s1
InChIKeyPVFXNKBCFQVBOB-FVLCQKEPSA-N
MW381.35 g/mol
LogP0.78
Rot. Bonds4

About N-cyclopropyl-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]propanamide;dihydrochloride

N-cyclopropyl-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]propanamide;dihydrochloride (PubChem CID 119839022) has the molecular formula C16H30Cl2N4O2 and a molecular weight of 381.35 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]propanamide;dihydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]propanamide;dihydrochloride
PubChem CID119839022
Molecular FormulaC16H30Cl2N4O2
Molecular Weight381.35 g/mol
Exact Mass380.17
IUPAC NameN-cyclopropyl-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]propanamide;dihydrochloride
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)[C@H]2CCCCN2)CC1.Cl.Cl
InChIInChI=1S/C16H28N4O2.2ClH/c1-12(15(21)18-13-5-6-13)19-8-10-20(11-9-19)16(22)14-4-2-3-7-17-14;;/h12-14,17H,2-11H2,1H3,(H,18,21);2*1H/t12?,14-;;/m1../s1
InChIKeyPVFXNKBCFQVBOB-FVLCQKEPSA-N
XLogP0.78
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(azepane-2-carbonyl)piperazin-1-yl]propanoic acid
CID 64569745
N-cyclopropyl-2-[4-(piperidine-4-carbonyl)piperazin-1-yl]propanamide;dihydrochloride
CID 119839032
2-(4-acetylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 123939055
N-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]acetamide
CID 103810108
2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119269718
[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 119787837
piperidin-2-yl-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 119326089
1-morpholin-4-yl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119877474
N-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]cyclopropanecarboxamide;hydrochloride
CID 119702485
[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone
CID 113266870
2-methyl-1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119297843
[4-(1-hydroxyethyl)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119769016

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]propanamide;dihydrochloride?
The IUPAC name of N-cyclopropyl-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]propanamide;dihydrochloride (CID 119839022) is N-cyclopropyl-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]propanamide;dihydrochloride.
What is the SMILES notation for N-cyclopropyl-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]propanamide;dihydrochloride?
The canonical SMILES for N-cyclopropyl-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]propanamide;dihydrochloride is CC(C(=O)NC1CC1)N1CCN(C(=O)[C@H]2CCCCN2)CC1.Cl.Cl.
What is the InChIKey of N-cyclopropyl-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]propanamide;dihydrochloride?
The InChIKey is PVFXNKBCFQVBOB-FVLCQKEPSA-N. The full InChI is InChI=1S/C16H28N4O2.2ClH/c1-12(15(21)18-13-5-6-13)19-8-10-20(11-9-19)16(22)14-4-2-3-7-17-14;;/h12-14,17H,2-11H2,1H3,(H,18,21);2*1H/t12?,14-;;/m1../s1.
What are the key properties of N-cyclopropyl-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]propanamide;dihydrochloride?
N-cyclopropyl-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]propanamide;dihydrochloride has a molecular weight of 381.35 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]propanamide;dihydrochloride is sourced from PubChem (CID 119839022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).