N-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbutanamide

C25H34N2O3 — CID 42853287

IUPACN-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbutanamide
SMILESCOc1ccc(N(C(=O)CC(C)C)C2CCN(Cc3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C25H34N2O3/c1-19(2)16-25(28)27(21-8-10-23(29-3)11-9-21)22-12-14-26(15-13-22)18-20-6-5-7-24(17-20)30-4/h5-11,17,19,22H,12-16,18H2,1-4H3
InChIKeyXVWHKPRZHFPPLO-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.75
Rot. Bonds8

About N-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbutanamide

N-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbutanamide (PubChem CID 42853287) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbutanamide
PubChem CID42853287
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC NameN-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbutanamide
SMILESCOc1ccc(N(C(=O)CC(C)C)C2CCN(Cc3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C25H34N2O3/c1-19(2)16-25(28)27(21-8-10-23(29-3)11-9-21)22-12-14-26(15-13-22)18-20-6-5-7-24(17-20)30-4/h5-11,17,19,22H,12-16,18H2,1-4H3
InChIKeyXVWHKPRZHFPPLO-UHFFFAOYSA-N
XLogP4.75
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-N-(3-methoxyphenyl)-3-methylbutanamide
CID 46047800
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-3-methylbutanamide
CID 42858323
N-(4-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide
CID 42853264
4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047925
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbutanamide
CID 46054341
N-(4-methoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 42853290
N-(3,4-dimethoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]furan-2-carboxamide
CID 42853305
2-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide
CID 42853361
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
2-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)acetamide
CID 46159081
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide
CID 46159013

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbutanamide?
The IUPAC name of N-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbutanamide (CID 42853287) is N-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbutanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbutanamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbutanamide is COc1ccc(N(C(=O)CC(C)C)C2CCN(Cc3cccc(OC)c3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbutanamide?
The InChIKey is XVWHKPRZHFPPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-19(2)16-25(28)27(21-8-10-23(29-3)11-9-21)22-12-14-26(15-13-22)18-20-6-5-7-24(17-20)30-4/h5-11,17,19,22H,12-16,18H2,1-4H3.
What are the key properties of N-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbutanamide?
N-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbutanamide has a molecular weight of 410.56 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbutanamide is sourced from PubChem (CID 42853287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).