N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide

C17H25N3O2 — CID 119321700

IUPACN-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCNC2)ccc1C(=O)NC(C)C
InChIInChI=1S/C17H25N3O2/c1-11(2)19-17(22)15-7-6-14(9-12(15)3)20-16(21)13-5-4-8-18-10-13/h6-7,9,11,13,18H,4-5,8,10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyHYYYURUTRJRKBY-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.07
Rot. Bonds4

About N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide

N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 119321700) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
PubChem CID119321700
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCNC2)ccc1C(=O)NC(C)C
InChIInChI=1S/C17H25N3O2/c1-11(2)19-17(22)15-7-6-14(9-12(15)3)20-16(21)13-5-4-8-18-10-13/h6-7,9,11,13,18H,4-5,8,10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyHYYYURUTRJRKBY-UHFFFAOYSA-N
XLogP2.07
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 60927369
N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119321690
2-methyl-5-(piperidine-3-carbonylamino)benzoic acid
CID 63653513
N-[3-(dimethylamino)-4-methylphenyl]piperidine-3-carboxamide
CID 115377234
propan-2-yl 4-(piperidine-3-carbonylamino)benzoate
CID 43702839
N-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43712007
2-fluoro-4-[[(3S)-piperidine-3-carbonyl]amino]benzoic acid
CID 107795041
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
(3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide
CID 81124281
2-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide;hydrochloride
CID 119780279
N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119270691
N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide;hydrochloride
CID 119263634

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide (CID 119321700) is N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide is Cc1cc(NC(=O)C2CCCNC2)ccc1C(=O)NC(C)C.
What is the InChIKey of N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is HYYYURUTRJRKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-11(2)19-17(22)15-7-6-14(9-12(15)3)20-16(21)13-5-4-8-18-10-13/h6-7,9,11,13,18H,4-5,8,10H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide?
N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 119321700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).