(3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide

C16H23N3O3 — CID 95139124

IUPAC(3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide
SMILESCCC(=O)N[C@H]1CCCN(C(=O)Nc2cccc(OC)c2)C1
InChIInChI=1S/C16H23N3O3/c1-3-15(20)17-13-7-5-9-19(11-13)16(21)18-12-6-4-8-14(10-12)22-2/h4,6,8,10,13H,3,5,7,9,11H2,1-2H3,(H,17,20)(H,18,21)/t13-/m0/s1
InChIKeyOZPLQRUMFVYGDG-ZDUSSCGKSA-N
MW305.38 g/mol
LogP2.22
Rot. Bonds4

About (3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide

(3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide (PubChem CID 95139124) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide
PubChem CID95139124
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide
SMILESCCC(=O)N[C@H]1CCCN(C(=O)Nc2cccc(OC)c2)C1
InChIInChI=1S/C16H23N3O3/c1-3-15(20)17-13-7-5-9-19(11-13)16(21)18-12-6-4-8-14(10-12)22-2/h4,6,8,10,13H,3,5,7,9,11H2,1-2H3,(H,17,20)(H,18,21)/t13-/m0/s1
InChIKeyOZPLQRUMFVYGDG-ZDUSSCGKSA-N
XLogP2.22
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide
CID 95297501
tert-butyl N-[1-[(3-methoxyphenyl)carbamoyl]piperidin-3-yl]carbamate
CID 47065724
N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840497
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 3872908
N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 56822388
(3R)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95595316
(3S)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95595317
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
(3S)-3-N-tert-butyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7435243
3-hydroxy-N-(3-propoxyphenyl)piperidine-1-carboxamide
CID 47202480
3-hydroxy-N-(3-methoxyphenyl)-4-methylpiperidine-1-carboxamide
CID 103896298
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide (CID 95139124) is (3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide is CCC(=O)N[C@H]1CCCN(C(=O)Nc2cccc(OC)c2)C1.
What is the InChIKey of (3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide?
The InChIKey is OZPLQRUMFVYGDG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-3-15(20)17-13-7-5-9-19(11-13)16(21)18-12-6-4-8-14(10-12)22-2/h4,6,8,10,13H,3,5,7,9,11H2,1-2H3,(H,17,20)(H,18,21)/t13-/m0/s1.
What are the key properties of (3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide?
(3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide is sourced from PubChem (CID 95139124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).