N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-3-piperidin-4-ylbutanamide

C25H34N2O2 — CID 119802438

IUPACN-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-3-piperidin-4-ylbutanamide
SMILESCOc1ccccc1-c1ccc(C(C)N(C)C(=O)CC(C)C2CCNCC2)cc1
InChIInChI=1S/C25H34N2O2/c1-18(20-13-15-26-16-14-20)17-25(28)27(3)19(2)21-9-11-22(12-10-21)23-7-5-6-8-24(23)29-4/h5-12,18-20,26H,13-17H2,1-4H3
InChIKeyVIKRQNOPUNLYCO-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.91
Rot. Bonds7

About N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-3-piperidin-4-ylbutanamide

N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-3-piperidin-4-ylbutanamide (PubChem CID 119802438) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-3-piperidin-4-ylbutanamide
PubChem CID119802438
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC NameN-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-3-piperidin-4-ylbutanamide
SMILESCOc1ccccc1-c1ccc(C(C)N(C)C(=O)CC(C)C2CCNCC2)cc1
InChIInChI=1S/C25H34N2O2/c1-18(20-13-15-26-16-14-20)17-25(28)27(3)19(2)21-9-11-22(12-10-21)23-7-5-6-8-24(23)29-4/h5-12,18-20,26H,13-17H2,1-4H3
InChIKeyVIKRQNOPUNLYCO-UHFFFAOYSA-N
XLogP4.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[1-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119717403
4-amino-3-methoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylbutanamide
CID 120593275
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119802421
2-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylpentanamide;hydrochloride
CID 119334352
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 124514172
N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675421
N-(cyclobutylmethyl)-N-(1-phenylethyl)-3-piperidin-4-ylbutanamide
CID 119799552
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-4-ylbutanamide
CID 119746206
N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119730501
3-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119802425
N-(dicyclopropylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119760613
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-4-yloxyacetamide
CID 63877072

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-3-piperidin-4-ylbutanamide (CID 119802438) is N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-3-piperidin-4-ylbutanamide is COc1ccccc1-c1ccc(C(C)N(C)C(=O)CC(C)C2CCNCC2)cc1.
What is the InChIKey of N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-3-piperidin-4-ylbutanamide?
The InChIKey is VIKRQNOPUNLYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-18(20-13-15-26-16-14-20)17-25(28)27(3)19(2)21-9-11-22(12-10-21)23-7-5-6-8-24(23)29-4/h5-12,18-20,26H,13-17H2,1-4H3.
What are the key properties of N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-3-piperidin-4-ylbutanamide?
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-3-piperidin-4-ylbutanamide has a molecular weight of 394.56 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119802438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).