1-[(2S)-2-amino-4-methylpentanoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide;hydrochloride

C17H34ClN3O3 — CID 119720899

IUPAC1-[(2S)-2-amino-4-methylpentanoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide;hydrochloride
SMILESCCOCCCNC(=O)C1CCN(C(=O)[C@@H](N)CC(C)C)CC1.Cl
InChIInChI=1S/C17H33N3O3.ClH/c1-4-23-11-5-8-19-16(21)14-6-9-20(10-7-14)17(22)15(18)12-13(2)3;/h13-15H,4-12,18H2,1-3H3,(H,19,21);1H/t15-;/m0./s1
InChIKeyCTXSKSZSXHZWJY-RSAXXLAASA-N
MW363.93 g/mol
LogP1.56
Rot. Bonds9

About 1-[(2S)-2-amino-4-methylpentanoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide;hydrochloride

1-[(2S)-2-amino-4-methylpentanoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119720899) has the molecular formula C17H34ClN3O3 and a molecular weight of 363.93 g/mol. Its IUPAC name is 1-[(2S)-2-amino-4-methylpentanoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(2S)-2-amino-4-methylpentanoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119720899
Molecular FormulaC17H34ClN3O3
Molecular Weight363.93 g/mol
Exact Mass363.23
IUPAC Name1-[(2S)-2-amino-4-methylpentanoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide;hydrochloride
SMILESCCOCCCNC(=O)C1CCN(C(=O)[C@@H](N)CC(C)C)CC1.Cl
InChIInChI=1S/C17H33N3O3.ClH/c1-4-23-11-5-8-19-16(21)14-6-9-20(10-7-14)17(22)15(18)12-13(2)3;/h13-15H,4-12,18H2,1-3H3,(H,19,21);1H/t15-;/m0./s1
InChIKeyCTXSKSZSXHZWJY-RSAXXLAASA-N
XLogP1.56
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-amino-3-methylpentanoyl)-N-butylpiperidine-4-carboxamide;hydrochloride
CID 119723977
(2S)-2-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidine-4-carbonyl]amino]-3-methylbutanoic acid
CID 908678
N-(3-ethoxypropyl)-1-(3-hydroxypropyl)piperidine-4-carboxamide
CID 60500354
1-[(2S)-2-amino-4-methylpentanoyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119759325
1-[(2S)-2-amino-3-phenylpropanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119287834
N-(3-ethoxypropyl)-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide
CID 86985142
1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 93376438
1-(1-aminocyclohexanecarbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 119288007
2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
CID 47003200
(2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 122080878

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-4-methylpentanoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-[(2S)-2-amino-4-methylpentanoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide;hydrochloride (CID 119720899) is 1-[(2S)-2-amino-4-methylpentanoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(2S)-2-amino-4-methylpentanoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[(2S)-2-amino-4-methylpentanoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide;hydrochloride is CCOCCCNC(=O)C1CCN(C(=O)[C@@H](N)CC(C)C)CC1.Cl.
What is the InChIKey of 1-[(2S)-2-amino-4-methylpentanoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is CTXSKSZSXHZWJY-RSAXXLAASA-N. The full InChI is InChI=1S/C17H33N3O3.ClH/c1-4-23-11-5-8-19-16(21)14-6-9-20(10-7-14)17(22)15(18)12-13(2)3;/h13-15H,4-12,18H2,1-3H3,(H,19,21);1H/t15-;/m0./s1.
What are the key properties of 1-[(2S)-2-amino-4-methylpentanoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide;hydrochloride?
1-[(2S)-2-amino-4-methylpentanoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 363.93 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-4-methylpentanoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119720899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).