N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide

C25H34N2O2 — CID 164851926

IUPACN-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
SMILESCCCC(=O)N(Cc1ccc(OC)cc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H34N2O2/c1-3-7-25(28)27(20-22-10-12-24(29-2)13-11-22)23-15-18-26(19-16-23)17-14-21-8-5-4-6-9-21/h4-6,8-13,23H,3,7,14-20H2,1-2H3
InChIKeyDJTFCCZLKQWQQY-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.53
Rot. Bonds9

About N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide

N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide (PubChem CID 164851926) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
PubChem CID164851926
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
SMILESCCCC(=O)N(Cc1ccc(OC)cc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H34N2O2/c1-3-7-25(28)27(20-22-10-12-24(29-2)13-11-22)23-15-18-26(19-16-23)17-14-21-8-5-4-6-9-21/h4-6,8-13,23H,3,7,14-20H2,1-2H3
InChIKeyDJTFCCZLKQWQQY-UHFFFAOYSA-N
XLogP4.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851901
N-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 118796493
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
N-cyclopropyl-3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 26378402
N-(1-benzylpiperidin-4-yl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanethioamide
CID 22643457
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 34441928
N-benzyl-1-[(4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid
CID 2910855
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258780
4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 26319728
4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 54869898
(4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol
CID 54146924

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide (CID 164851926) is N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide is CCCC(=O)N(Cc1ccc(OC)cc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide?
The InChIKey is DJTFCCZLKQWQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-3-7-25(28)27(20-22-10-12-24(29-2)13-11-22)23-15-18-26(19-16-23)17-14-21-8-5-4-6-9-21/h4-6,8-13,23H,3,7,14-20H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide?
N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide has a molecular weight of 394.56 g/mol, XLogP of 4.53, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 164851926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).