(3S)-1-[2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoyl]piperidine-3-carboxamide

C19H29N3O2 — CID 96565843

IUPAC(3S)-1-[2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoyl]piperidine-3-carboxamide
SMILESCc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C19H29N3O2/c1-12(2)14(4)21-17-9-5-8-16(13(17)3)19(24)22-10-6-7-15(11-22)18(20)23/h5,8-9,12,14-15,21H,6-7,10-11H2,1-4H3,(H2,20,23)/t14-,15+/m1/s1
InChIKeyONQAIZVAWVGPTD-CABCVRRESA-N
MW331.46 g/mol
LogP2.79
Rot. Bonds5

About (3S)-1-[2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoyl]piperidine-3-carboxamide

(3S)-1-[2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoyl]piperidine-3-carboxamide (PubChem CID 96565843) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (3S)-1-[2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoyl]piperidine-3-carboxamide
PubChem CID96565843
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(3S)-1-[2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoyl]piperidine-3-carboxamide
SMILESCc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C19H29N3O2/c1-12(2)14(4)21-17-9-5-8-16(13(17)3)19(24)22-10-6-7-15(11-22)18(20)23/h5,8-9,12,14-15,21H,6-7,10-11H2,1-4H3,(H2,20,23)/t14-,15+/m1/s1
InChIKeyONQAIZVAWVGPTD-CABCVRRESA-N
XLogP2.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-[2-methyl-3-(3-methylbutan-2-ylamino)phenyl]methanone
CID 102558860
[2-methyl-3-[[(2S)-3-methylbutan-2-yl]amino]phenyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 100629382
1-[2-(propan-2-ylamino)benzoyl]piperidine-3-carboxylic acid
CID 171389822
1-(2-bromobenzoyl)piperidine-3-carboxamide
CID 24692766
(3S)-1-(3-bromo-2-methylbenzoyl)piperidine-3-carboxylic acid
CID 81125596
(3S)-1-(3-fluoro-2-methylbenzoyl)piperidine-3-carboxylic acid
CID 122107144
1-(2-hydroxy-4-methylbenzoyl)piperidine-3-carboxamide
CID 43176610
ethyl (3R)-1-(3-chloro-2-methylbenzoyl)piperidine-3-carboxylate
CID 107098532
4-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 120561704
ethyl (3R)-1-(2,3-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338799
(3R)-1-[2-(difluoromethoxy)-3-methoxybenzoyl]piperidine-3-carboxamide
CID 94870214
(3S)-1-[(2-methylphenyl)carbamothioyl]piperidine-3-carboxamide
CID 8628888

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoyl]piperidine-3-carboxamide (CID 96565843) is (3S)-1-[2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoyl]piperidine-3-carboxamide is Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-[2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoyl]piperidine-3-carboxamide?
The InChIKey is ONQAIZVAWVGPTD-CABCVRRESA-N. The full InChI is InChI=1S/C19H29N3O2/c1-12(2)14(4)21-17-9-5-8-16(13(17)3)19(24)22-10-6-7-15(11-22)18(20)23/h5,8-9,12,14-15,21H,6-7,10-11H2,1-4H3,(H2,20,23)/t14-,15+/m1/s1.
What are the key properties of (3S)-1-[2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoyl]piperidine-3-carboxamide?
(3S)-1-[2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoyl]piperidine-3-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 96565843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).