(2S)-2-[(1S)-1-hydroxypropyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide

C16H24N2O3 — CID 95980216

IUPAC(2S)-2-[(1S)-1-hydroxypropyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide
SMILESCC[C@H](O)[C@@H]1CCCCN1C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C16H24N2O3/c1-3-15(19)14-9-4-5-10-18(14)16(20)17-12-7-6-8-13(11-12)21-2/h6-8,11,14-15,19H,3-5,9-10H2,1-2H3,(H,17,20)/t14-,15-/m0/s1
InChIKeyNWZCDUDYKILITH-GJZGRUSLSA-N
MW292.38 g/mol
LogP2.85
Rot. Bonds4

About (2S)-2-[(1S)-1-hydroxypropyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide

(2S)-2-[(1S)-1-hydroxypropyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 95980216) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2S)-2-[(1S)-1-hydroxypropyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-[(1S)-1-hydroxypropyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide
PubChem CID95980216
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2S)-2-[(1S)-1-hydroxypropyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide
SMILESCC[C@H](O)[C@@H]1CCCCN1C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C16H24N2O3/c1-3-15(19)14-9-4-5-10-18(14)16(20)17-12-7-6-8-13(11-12)21-2/h6-8,11,14-15,19H,3-5,9-10H2,1-2H3,(H,17,20)/t14-,15-/m0/s1
InChIKeyNWZCDUDYKILITH-GJZGRUSLSA-N
XLogP2.85
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-fluorophenyl)-2-[(1R)-1-hydroxypropyl]piperidine-1-carboxamide
CID 95628326
methyl (2R)-1-[(3-methoxyphenyl)carbamoyl]piperidine-2-carboxylate
CID 115536153
2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60582022
2-(aminomethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63765209
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
(2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856233
N-(3-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013061
(2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95708222
(2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1433458
1-N-(3-methoxyphenyl)-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 646616
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699
2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792717

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-1-hydroxypropyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of (2S)-2-[(1S)-1-hydroxypropyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide (CID 95980216) is (2S)-2-[(1S)-1-hydroxypropyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-[(1S)-1-hydroxypropyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-2-[(1S)-1-hydroxypropyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide is CC[C@H](O)[C@@H]1CCCCN1C(=O)Nc1cccc(OC)c1.
What is the InChIKey of (2S)-2-[(1S)-1-hydroxypropyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is NWZCDUDYKILITH-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-15(19)14-9-4-5-10-18(14)16(20)17-12-7-6-8-13(11-12)21-2/h6-8,11,14-15,19H,3-5,9-10H2,1-2H3,(H,17,20)/t14-,15-/m0/s1.
What are the key properties of (2S)-2-[(1S)-1-hydroxypropyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide?
(2S)-2-[(1S)-1-hydroxypropyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-1-hydroxypropyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 95980216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).