N-(1-benzylpiperidin-4-yl)-N-(3-methoxyphenyl)-3-methylbutanamide

C24H32N2O2 — CID 46047800

IUPACN-(1-benzylpiperidin-4-yl)-N-(3-methoxyphenyl)-3-methylbutanamide
SMILESCOc1cccc(N(C(=O)CC(C)C)C2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C24H32N2O2/c1-19(2)16-24(27)26(22-10-7-11-23(17-22)28-3)21-12-14-25(15-13-21)18-20-8-5-4-6-9-20/h4-11,17,19,21H,12-16,18H2,1-3H3
InChIKeyVOSHBTHXFCQJKK-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.74
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-N-(3-methoxyphenyl)-3-methylbutanamide

N-(1-benzylpiperidin-4-yl)-N-(3-methoxyphenyl)-3-methylbutanamide (PubChem CID 46047800) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N-(3-methoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N-(3-methoxyphenyl)-3-methylbutanamide
PubChem CID46047800
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-(1-benzylpiperidin-4-yl)-N-(3-methoxyphenyl)-3-methylbutanamide
SMILESCOc1cccc(N(C(=O)CC(C)C)C2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C24H32N2O2/c1-19(2)16-24(27)26(22-10-7-11-23(17-22)28-3)21-12-14-25(15-13-21)18-20-8-5-4-6-9-20/h4-11,17,19,21H,12-16,18H2,1-3H3
InChIKeyVOSHBTHXFCQJKK-UHFFFAOYSA-N
XLogP4.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbutanamide
CID 42853287
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-3-methylbutanamide
CID 42858323
N-(3-methoxyphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 46054408
4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047925
N-(3-methoxyphenyl)-2-methyl-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]propanamide
CID 42856599
N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 46054990
N-(4-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide
CID 42853264
2-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)acetamide
CID 46159081
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbutanamide
CID 46054341
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 10139868
N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide
CID 46054747
N-(1-benzylpyrrolidin-3-yl)-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide
CID 131901045

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N-(3-methoxyphenyl)-3-methylbutanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N-(3-methoxyphenyl)-3-methylbutanamide (CID 46047800) is N-(1-benzylpiperidin-4-yl)-N-(3-methoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N-(3-methoxyphenyl)-3-methylbutanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N-(3-methoxyphenyl)-3-methylbutanamide is COc1cccc(N(C(=O)CC(C)C)C2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N-(3-methoxyphenyl)-3-methylbutanamide?
The InChIKey is VOSHBTHXFCQJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-19(2)16-24(27)26(22-10-7-11-23(17-22)28-3)21-12-14-25(15-13-21)18-20-8-5-4-6-9-20/h4-11,17,19,21H,12-16,18H2,1-3H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-N-(3-methoxyphenyl)-3-methylbutanamide?
N-(1-benzylpiperidin-4-yl)-N-(3-methoxyphenyl)-3-methylbutanamide has a molecular weight of 380.53 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N-(3-methoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 46047800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).