(2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride

C14H31Cl2N3O — CID 119835548

IUPAC(2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCCCN1CCCCC1.Cl.Cl
InChIInChI=1S/C14H29N3O.2ClH/c1-12(2)11-13(15)14(18)16-7-6-10-17-8-4-3-5-9-17;;/h12-13H,3-11,15H2,1-2H3,(H,16,18);2*1H/t13-;;/m0../s1
InChIKeyMSUKDRAIRKFHJU-GXKRWWSZSA-N
MW328.33 g/mol
LogP2.20
Rot. Bonds7

About (2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride

(2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride (PubChem CID 119835548) has the molecular formula C14H31Cl2N3O and a molecular weight of 328.33 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride
PubChem CID119835548
Molecular FormulaC14H31Cl2N3O
Molecular Weight328.33 g/mol
Exact Mass327.18
IUPAC Name(2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCCCN1CCCCC1.Cl.Cl
InChIInChI=1S/C14H29N3O.2ClH/c1-12(2)11-13(15)14(18)16-7-6-10-17-8-4-3-5-9-17;;/h12-13H,3-11,15H2,1-2H3,(H,16,18);2*1H/t13-;;/m0../s1
InChIKeyMSUKDRAIRKFHJU-GXKRWWSZSA-N
XLogP2.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide;dihydrochloride
CID 119834347
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride
CID 119827262
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
3-amino-2-methyl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 120502610
(2S)-2-amino-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]pentanamide
CID 126505031
(2S)-2-amino-4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pentanamide
CID 119687909
(2S)-2-amino-4-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]pentanamide
CID 119852727
(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide
CID 104902575
(2S)-2-amino-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pentanamide;hydrochloride
CID 119671605
2-amino-4-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pentanamide
CID 54906759
(2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide
CID 103928449
2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide
CID 43362927

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride (CID 119835548) is (2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride is CC(C)C[C@H](N)C(=O)NCCCN1CCCCC1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride?
The InChIKey is MSUKDRAIRKFHJU-GXKRWWSZSA-N. The full InChI is InChI=1S/C14H29N3O.2ClH/c1-12(2)11-13(15)14(18)16-7-6-10-17-8-4-3-5-9-17;;/h12-13H,3-11,15H2,1-2H3,(H,16,18);2*1H/t13-;;/m0../s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride?
(2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride has a molecular weight of 328.33 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride is sourced from PubChem (CID 119835548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).