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

C19H29N3O2 — CID 9304838

IUPAC(3S)-1-[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]piperidine-3-carboxamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C19H29N3O2/c1-4-13(2)16-9-5-6-10-17(16)21-19(24)14(3)22-11-7-8-15(12-22)18(20)23/h5-6,9-10,13-15H,4,7-8,11-12H2,1-3H3,(H2,20,23)(H,21,24)/t13-,14-,15+/m1/s1
InChIKeyYSWZLWHPKLSIGZ-KFWWJZLASA-N
MW331.46 g/mol
LogP2.72
Rot. Bonds6

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

(3S)-1-[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]piperidine-3-carboxamide (PubChem CID 9304838) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (3S)-1-[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]piperidine-3-carboxamide
PubChem CID9304838
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(3S)-1-[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]piperidine-3-carboxamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C19H29N3O2/c1-4-13(2)16-9-5-6-10-17(16)21-19(24)14(3)22-11-7-8-15(12-22)18(20)23/h5-6,9-10,13-15H,4,7-8,11-12H2,1-3H3,(H2,20,23)(H,21,24)/t13-,14-,15+/m1/s1
InChIKeyYSWZLWHPKLSIGZ-KFWWJZLASA-N
XLogP2.72
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(3S)-1-[(2S)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 9304844
(3S)-1-[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide
CID 9304837
N-(2-butan-2-ylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 55364692
(3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide
CID 9305645
(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9460394
2-(3-acetamidopiperidin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 87014527
ethyl 1-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 46631046
(2S)-2-(4-benzylpiperazin-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 9265096
(3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 8543236
(3S)-1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 9304789
ethyl 1-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 46800902
N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide
CID 9497565

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]piperidine-3-carboxamide (CID 9304838) is (3S)-1-[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]piperidine-3-carboxamide is CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]piperidine-3-carboxamide?
The InChIKey is YSWZLWHPKLSIGZ-KFWWJZLASA-N. The full InChI is InChI=1S/C19H29N3O2/c1-4-13(2)16-9-5-6-10-17(16)21-19(24)14(3)22-11-7-8-15(12-22)18(20)23/h5-6,9-10,13-15H,4,7-8,11-12H2,1-3H3,(H2,20,23)(H,21,24)/t13-,14-,15+/m1/s1.
What are the key properties of (3S)-1-[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]piperidine-3-carboxamide?
(3S)-1-[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]piperidine-3-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 9304838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).