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

C18H26N2O3 — CID 52605797

IUPACN-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1
InChIInChI=1S/C18H26N2O3/c1-3-6-17(21)19-15-9-11-20(12-10-15)18(22)13-14-7-4-5-8-16(14)23-2/h4-5,7-8,15H,3,6,9-13H2,1-2H3,(H,19,21)
InChIKeyHSRXWGUFNLLGRY-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.14
Rot. Bonds6

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

N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]butanamide (PubChem CID 52605797) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]butanamide
PubChem CID52605797
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1
InChIInChI=1S/C18H26N2O3/c1-3-6-17(21)19-15-9-11-20(12-10-15)18(22)13-14-7-4-5-8-16(14)23-2/h4-5,7-8,15H,3,6,9-13H2,1-2H3,(H,19,21)
InChIKeyHSRXWGUFNLLGRY-UHFFFAOYSA-N
XLogP2.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 24790876
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 119312121
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]butanamide
CID 110820607
methyl N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate
CID 110822101
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-methylbutanamide;hydrochloride
CID 119312142
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide
CID 52820081
1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576
2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide
CID 120668110
N-cyclopropyl-2-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 51329083
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51129983
3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]benzamide
CID 119763945
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide
CID 108565449

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]butanamide?
The IUPAC name of N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]butanamide (CID 52605797) is N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]butanamide.
What is the SMILES notation for N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]butanamide?
The canonical SMILES for N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]butanamide is CCCC(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1.
What is the InChIKey of N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]butanamide?
The InChIKey is HSRXWGUFNLLGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-6-17(21)19-15-9-11-20(12-10-15)18(22)13-14-7-4-5-8-16(14)23-2/h4-5,7-8,15H,3,6,9-13H2,1-2H3,(H,19,21).
What are the key properties of N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]butanamide?
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]butanamide has a molecular weight of 318.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 52605797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).