(2S)-N-(3-aminopropyl)-1-undecanoylpiperidine-2-carboxamide

C20H39N3O2 — CID 69288111

IUPAC(2S)-N-(3-aminopropyl)-1-undecanoylpiperidine-2-carboxamide
SMILESCCCCCCCCCCC(=O)N1CCCC[C@H]1C(=O)NCCCN
InChIInChI=1S/C20H39N3O2/c1-2-3-4-5-6-7-8-9-14-19(24)23-17-11-10-13-18(23)20(25)22-16-12-15-21/h18H,2-17,21H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyCJQIQMLPWITNOP-SFHVURJKSA-N
MW353.55 g/mol
LogP3.36
Rot. Bonds13

About (2S)-N-(3-aminopropyl)-1-undecanoylpiperidine-2-carboxamide

(2S)-N-(3-aminopropyl)-1-undecanoylpiperidine-2-carboxamide (PubChem CID 69288111) has the molecular formula C20H39N3O2 and a molecular weight of 353.55 g/mol. Its IUPAC name is (2S)-N-(3-aminopropyl)-1-undecanoylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-aminopropyl)-1-undecanoylpiperidine-2-carboxamide
PubChem CID69288111
Molecular FormulaC20H39N3O2
Molecular Weight353.55 g/mol
Exact Mass353.30
IUPAC Name(2S)-N-(3-aminopropyl)-1-undecanoylpiperidine-2-carboxamide
SMILESCCCCCCCCCCC(=O)N1CCCC[C@H]1C(=O)NCCCN
InChIInChI=1S/C20H39N3O2/c1-2-3-4-5-6-7-8-9-14-19(24)23-17-11-10-13-18(23)20(25)22-16-12-15-21/h18H,2-17,21H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyCJQIQMLPWITNOP-SFHVURJKSA-N
XLogP3.36
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.55
LogP ≤ 53.36
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

(2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide
CID 69288781
N-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide
CID 23503497
N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide
CID 23503481
(2R)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2S)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2R)-1-octanoylpiperidine-2-carboxylic acid;pentane-1,5-diamine
CID 172840576
tert-butyl N-[6-[(1-tridecanoylpiperidine-2-carbonyl)amino]hexyl]carbamate
CID 69287176
4-[(2S)-2-(heptylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 177401616
(2R)-1-nonanoylpiperidine-2-carboxylic acid
CID 69288124
N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidine-2-carboxamide
CID 10293594
N-[6-oxo-5-[(1-tetradecanoylpyrrolidine-2-carbonyl)amino]heptyl]-1-tetradecanoylpyrrolidine-2-carboxamide
CID 152904698
1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60953275
[(2R)-1-hexanoylpyrrolidin-2-yl] N-(3-aminopropyl)carbamate
CID 69288161
1-decanoylazepane-2-carboxylic acid
CID 64558604

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-aminopropyl)-1-undecanoylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-aminopropyl)-1-undecanoylpiperidine-2-carboxamide (CID 69288111) is (2S)-N-(3-aminopropyl)-1-undecanoylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-aminopropyl)-1-undecanoylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-aminopropyl)-1-undecanoylpiperidine-2-carboxamide is CCCCCCCCCCC(=O)N1CCCC[C@H]1C(=O)NCCCN.
What is the InChIKey of (2S)-N-(3-aminopropyl)-1-undecanoylpiperidine-2-carboxamide?
The InChIKey is CJQIQMLPWITNOP-SFHVURJKSA-N. The full InChI is InChI=1S/C20H39N3O2/c1-2-3-4-5-6-7-8-9-14-19(24)23-17-11-10-13-18(23)20(25)22-16-12-15-21/h18H,2-17,21H2,1H3,(H,22,25)/t18-/m0/s1.
What are the key properties of (2S)-N-(3-aminopropyl)-1-undecanoylpiperidine-2-carboxamide?
(2S)-N-(3-aminopropyl)-1-undecanoylpiperidine-2-carboxamide has a molecular weight of 353.55 g/mol, XLogP of 3.36, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-aminopropyl)-1-undecanoylpiperidine-2-carboxamide is sourced from PubChem (CID 69288111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).