N-(1-amino-2-methylpropan-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide

C18H27N3O2 — CID 119524399

IUPACN-(1-amino-2-methylpropan-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)NC(C)(C)CN)C2)cc1
InChIInChI=1S/C18H27N3O2/c1-13-6-8-14(9-7-13)17(23)21-10-4-5-15(11-21)16(22)20-18(2,3)12-19/h6-9,15H,4-5,10-12,19H2,1-3H3,(H,20,22)
InChIKeySRESYJLNJHNENB-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.70
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide

N-(1-amino-2-methylpropan-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 119524399) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
PubChem CID119524399
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)NC(C)(C)CN)C2)cc1
InChIInChI=1S/C18H27N3O2/c1-13-6-8-14(9-7-13)17(23)21-10-4-5-15(11-21)16(22)20-18(2,3)12-19/h6-9,15H,4-5,10-12,19H2,1-3H3,(H,20,22)
InChIKeySRESYJLNJHNENB-UHFFFAOYSA-N
XLogP1.70
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-1-(4-bromo-2-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119524663
1-benzoyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 110000883
3-N-(1-amino-2-methylpropan-2-yl)-1-N-cyclopentylpiperidine-1,3-dicarboxamide
CID 119521732
(3R)-1-(4-methylbenzoyl)-N-[(2S)-oxan-2-yl]oxypiperidine-3-carboxamide
CID 52828959
N-(2-hydroxy-2,3-dimethylbutyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 111484130
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
N-[4-(carbamoylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55627027
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 124674802
N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55624039
(3R)-1-(4-methylbenzoyl)-N-[(E)-pent-3-enyl]piperidine-3-carboxamide
CID 95627888
N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119627004

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide (CID 119524399) is N-(1-amino-2-methylpropan-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide is Cc1ccc(C(=O)N2CCCC(C(=O)NC(C)(C)CN)C2)cc1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is SRESYJLNJHNENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-6-8-14(9-7-13)17(23)21-10-4-5-15(11-21)16(22)20-18(2,3)12-19/h6-9,15H,4-5,10-12,19H2,1-3H3,(H,20,22).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
N-(1-amino-2-methylpropan-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 119524399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).