(3S)-3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide

C13H26N2O2 — CID 95634982

IUPAC(3S)-3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide
SMILESCCCCCNC(=O)N1CCC[C@@H](CCO)C1
InChIInChI=1S/C13H26N2O2/c1-2-3-4-8-14-13(17)15-9-5-6-12(11-15)7-10-16/h12,16H,2-11H2,1H3,(H,14,17)/t12-/m0/s1
InChIKeySEIDXPDOMQTELY-LBPRGKRZSA-N
MW242.36 g/mol
LogP1.98
Rot. Bonds6

About (3S)-3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide

(3S)-3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide (PubChem CID 95634982) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (3S)-3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide
PubChem CID95634982
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(3S)-3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide
SMILESCCCCCNC(=O)N1CCC[C@@H](CCO)C1
InChIInChI=1S/C13H26N2O2/c1-2-3-4-8-14-13(17)15-9-5-6-12(11-15)7-10-16/h12,16H,2-11H2,1H3,(H,14,17)/t12-/m0/s1
InChIKeySEIDXPDOMQTELY-LBPRGKRZSA-N
XLogP1.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylazetidine-1-carboxamide
CID 71922574
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide
CID 75378025
N-butan-2-yl-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 56794735
N-ethyl-4-(methoxymethyl)piperidine-1-carboxamide
CID 71782916
1-(2-Hydroxyethyl)-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea
CID 71860781
N-[2-(2-hydroxyethyl)-4-methylpentyl]-3-methylmorpholine-4-carboxamide
CID 71922578
N-[2-(2-hydroxyethyl)-4-methylpentyl]thiomorpholine-4-carboxamide
CID 75424350
1-(cyclopropylmethyl)-3-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]urea
CID 95908884
N-[2-(3-Ethoxycyclobutyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 99834195
3-(1-fluoroethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide
CID 123817928
N-ethyl-3-(1-fluoropropyl)-4,5-dihydroxypiperidine-1-carboxamide
CID 123825890
1-[2-(2-Hydroxyethyl)pentyl]-3-(2,2,2-trifluoroethyl)urea
CID 103710062

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide?
The IUPAC name of (3S)-3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide (CID 95634982) is (3S)-3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide is CCCCCNC(=O)N1CCC[C@@H](CCO)C1.
What is the InChIKey of (3S)-3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide?
The InChIKey is SEIDXPDOMQTELY-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-3-4-8-14-13(17)15-9-5-6-12(11-15)7-10-16/h12,16H,2-11H2,1H3,(H,14,17)/t12-/m0/s1.
What are the key properties of (3S)-3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide?
(3S)-3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide is sourced from PubChem (CID 95634982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).