1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide

C19H28N4O3 — CID 78639794

IUPAC1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
SMILESCOc1ccccc1N1CCN(CC(=O)N2CCCC(C(N)=O)C2)CC1
InChIInChI=1S/C19H28N4O3/c1-26-17-7-3-2-6-16(17)22-11-9-21(10-12-22)14-18(24)23-8-4-5-15(13-23)19(20)25/h2-3,6-7,15H,4-5,8-14H2,1H3,(H2,20,25)
InChIKeyIONADKFAIFRACG-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.54
Rot. Bonds5

About 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide

1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide (PubChem CID 78639794) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
PubChem CID78639794
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
SMILESCOc1ccccc1N1CCN(CC(=O)N2CCCC(C(N)=O)C2)CC1
InChIInChI=1S/C19H28N4O3/c1-26-17-7-3-2-6-16(17)22-11-9-21(10-12-22)14-18(24)23-8-4-5-15(13-23)19(20)25/h2-3,6-7,15H,4-5,8-14H2,1H3,(H2,20,25)
InChIKeyIONADKFAIFRACG-UHFFFAOYSA-N
XLogP0.54
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78782303
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 9228589
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 41337436
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 2364730
cyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42567976
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
(3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257555
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009
N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653840
cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 24719059
2-[4-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 87012618

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide (CID 78639794) is 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide is COc1ccccc1N1CCN(CC(=O)N2CCCC(C(N)=O)C2)CC1.
What is the InChIKey of 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide?
The InChIKey is IONADKFAIFRACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-26-17-7-3-2-6-16(17)22-11-9-21(10-12-22)14-18(24)23-8-4-5-15(13-23)19(20)25/h2-3,6-7,15H,4-5,8-14H2,1H3,(H2,20,25).
What are the key properties of 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide?
1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 78639794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).