1-(2-amino-3-methylpentanoyl)-N-butylpiperidine-4-carboxamide;hydrochloride

C16H32ClN3O2 — CID 119723977

IUPAC1-(2-amino-3-methylpentanoyl)-N-butylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCNC(=O)C1CCN(C(=O)C(N)C(C)CC)CC1.Cl
InChIInChI=1S/C16H31N3O2.ClH/c1-4-6-9-18-15(20)13-7-10-19(11-8-13)16(21)14(17)12(3)5-2;/h12-14H,4-11,17H2,1-3H3,(H,18,20);1H
InChIKeyNMHRWBVLGBCNLR-UHFFFAOYSA-N
MW333.90 g/mol
LogP1.94
Rot. Bonds7

About 1-(2-amino-3-methylpentanoyl)-N-butylpiperidine-4-carboxamide;hydrochloride

1-(2-amino-3-methylpentanoyl)-N-butylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119723977) has the molecular formula C16H32ClN3O2 and a molecular weight of 333.90 g/mol. Its IUPAC name is 1-(2-amino-3-methylpentanoyl)-N-butylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-amino-3-methylpentanoyl)-N-butylpiperidine-4-carboxamide;hydrochloride
PubChem CID119723977
Molecular FormulaC16H32ClN3O2
Molecular Weight333.90 g/mol
Exact Mass333.22
IUPAC Name1-(2-amino-3-methylpentanoyl)-N-butylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCNC(=O)C1CCN(C(=O)C(N)C(C)CC)CC1.Cl
InChIInChI=1S/C16H31N3O2.ClH/c1-4-6-9-18-15(20)13-7-10-19(11-8-13)16(21)14(17)12(3)5-2;/h12-14H,4-11,17H2,1-3H3,(H,18,20);1H
InChIKeyNMHRWBVLGBCNLR-UHFFFAOYSA-N
XLogP1.94
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.90
LogP ≤ 51.94
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

1-[(2S)-2-amino-4-methylpentanoyl]-N-butylpiperidine-4-carboxamide
CID 61163601
1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide
CID 60963512
1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 93376438
1-[2-(butan-2-ylamino)acetyl]-N-butylpiperidine-4-carboxamide
CID 60963510
1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide
CID 79813591
N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane
CID 169158864
1-[2-amino-2-(4-methylphenyl)acetyl]-N-butylpiperidine-4-carboxamide
CID 120667354
1-[(2S)-2-amino-4-methylpentanoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119720899
N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60963263
(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810273
1-(2-amino-3-methylpentanoyl)-N-(4-bromophenyl)piperidine-4-carboxamide
CID 119763556

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methylpentanoyl)-N-butylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(2-amino-3-methylpentanoyl)-N-butylpiperidine-4-carboxamide;hydrochloride (CID 119723977) is 1-(2-amino-3-methylpentanoyl)-N-butylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-amino-3-methylpentanoyl)-N-butylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-amino-3-methylpentanoyl)-N-butylpiperidine-4-carboxamide;hydrochloride is CCCCNC(=O)C1CCN(C(=O)C(N)C(C)CC)CC1.Cl.
What is the InChIKey of 1-(2-amino-3-methylpentanoyl)-N-butylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is NMHRWBVLGBCNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2.ClH/c1-4-6-9-18-15(20)13-7-10-19(11-8-13)16(21)14(17)12(3)5-2;/h12-14H,4-11,17H2,1-3H3,(H,18,20);1H.
What are the key properties of 1-(2-amino-3-methylpentanoyl)-N-butylpiperidine-4-carboxamide;hydrochloride?
1-(2-amino-3-methylpentanoyl)-N-butylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 333.90 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methylpentanoyl)-N-butylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119723977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).