(2R)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide

C17H25N3O2 — CID 119703600

IUPAC(2R)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)[C@H]2CCCCN2)cc1
InChIInChI=1S/C17H25N3O2/c1-12(2)11-16(21)19-13-6-8-14(9-7-13)20-17(22)15-5-3-4-10-18-15/h6-9,12,15,18H,3-5,10-11H2,1-2H3,(H,19,21)(H,20,22)/t15-/m1/s1
InChIKeyMQNAHCDIKRWCCY-OAHLLOKOSA-N
MW303.41 g/mol
LogP2.75
Rot. Bonds5

About (2R)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide

(2R)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide (PubChem CID 119703600) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2R)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide
PubChem CID119703600
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2R)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)[C@H]2CCCCN2)cc1
InChIInChI=1S/C17H25N3O2/c1-12(2)11-16(21)19-13-6-8-14(9-7-13)20-17(22)15-5-3-4-10-18-15/h6-9,12,15,18H,3-5,10-11H2,1-2H3,(H,19,21)(H,20,22)/t15-/m1/s1
InChIKeyMQNAHCDIKRWCCY-OAHLLOKOSA-N
XLogP2.75
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119703628
N-[4-(3-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 60727380
(2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 103808067
N-[4-(propan-2-ylcarbamoylamino)phenyl]piperidine-2-carboxamide
CID 119279232
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
(2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119740054
(2S)-N-[4-[ethyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide
CID 103813229
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 17193989
N-[4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43709925
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide (CID 119703600) is (2R)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide is CC(C)CC(=O)Nc1ccc(NC(=O)[C@H]2CCCCN2)cc1.
What is the InChIKey of (2R)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide?
The InChIKey is MQNAHCDIKRWCCY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(2)11-16(21)19-13-6-8-14(9-7-13)20-17(22)15-5-3-4-10-18-15/h6-9,12,15,18H,3-5,10-11H2,1-2H3,(H,19,21)(H,20,22)/t15-/m1/s1.
What are the key properties of (2R)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide?
(2R)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 119703600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).