N-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide

C17H26N2O — CID 139362651

IUPACN-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C)(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-14(2)19-11-9-17(3,10-12-19)16(20)18-13-15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3,(H,18,20)
InChIKeyWNXHNBQLOBNSCR-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.81
Rot. Bonds4

About N-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide

N-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 139362651) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID139362651
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C)(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-14(2)19-11-9-17(3,10-12-19)16(20)18-13-15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3,(H,18,20)
InChIKeyWNXHNBQLOBNSCR-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-methyl-1-methylsulfonylpiperidine-4-carboxamide
CID 52999238
4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998873
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979
4-N-benzyl-1-N-(4-bromophenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998894
4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998895
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
4-(benzylamino)-1-propan-2-ylazepane-4-carboxylic acid
CID 65075754
N-benzyl-1-(4-cyanobenzoyl)-4-methylpiperidine-4-carboxamide
CID 46326816
N-benzyl-1-hydroxy-2,2-dimethylcyclopropane-1-carboxamide
CID 132515764
4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998868
4-methyl-1-propan-2-yl-N-pyridin-2-ylpiperidine-4-carboxamide
CID 134515265
4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide
CID 65075738

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide (CID 139362651) is N-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide is CC(C)N1CCC(C)(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is WNXHNBQLOBNSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14(2)19-11-9-17(3,10-12-19)16(20)18-13-15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3,(H,18,20).
What are the key properties of N-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide?
N-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 139362651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).