(3S)-1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide

C16H23N3O3 — CID 9304789

IUPAC(3S)-1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide
SMILESCOc1cccc(NC(=O)[C@@H](C)N2CCC[C@H](C(N)=O)C2)c1
InChIInChI=1S/C16H23N3O3/c1-11(19-8-4-5-12(10-19)15(17)20)16(21)18-13-6-3-7-14(9-13)22-2/h3,6-7,9,11-12H,4-5,8,10H2,1-2H3,(H2,17,20)(H,18,21)/t11-,12+/m1/s1
InChIKeyPCOSGCAHIFUCOX-NEPJUHHUSA-N
MW305.38 g/mol
LogP1.22
Rot. Bonds5

About (3S)-1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide

(3S)-1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide (PubChem CID 9304789) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (3S)-1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide
PubChem CID9304789
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(3S)-1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide
SMILESCOc1cccc(NC(=O)[C@@H](C)N2CCC[C@H](C(N)=O)C2)c1
InChIInChI=1S/C16H23N3O3/c1-11(19-8-4-5-12(10-19)15(17)20)16(21)18-13-6-3-7-14(9-13)22-2/h3,6-7,9,11-12H,4-5,8,10H2,1-2H3,(H2,17,20)(H,18,21)/t11-,12+/m1/s1
InChIKeyPCOSGCAHIFUCOX-NEPJUHHUSA-N
XLogP1.22
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

methyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 8741714
N-(3-methoxyphenyl)-3-(2-pyrrolidin-1-ylpropanoylamino)benzamide
CID 46995483
(3S)-1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 9304674
(3S)-1-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 9304678
(3S)-1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide
CID 9304786
N-(3-carbamothioylphenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 43103510
N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide
CID 106586020
1-[1-(3-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 17498457
ethyl 1-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 46800902
ethyl 1-[1-(3-cyanoanilino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 16554666
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 8704511
N-(3-aminophenyl)-2-piperidin-1-ylpropanamide
CID 16795783

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide (CID 9304789) is (3S)-1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide is COc1cccc(NC(=O)[C@@H](C)N2CCC[C@H](C(N)=O)C2)c1.
What is the InChIKey of (3S)-1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide?
The InChIKey is PCOSGCAHIFUCOX-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(19-8-4-5-12(10-19)15(17)20)16(21)18-13-6-3-7-14(9-13)22-2/h3,6-7,9,11-12H,4-5,8,10H2,1-2H3,(H2,17,20)(H,18,21)/t11-,12+/m1/s1.
What are the key properties of (3S)-1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide?
(3S)-1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 9304789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).