4-[(2-methoxyphenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide

C21H34N4O2 — CID 121498652

IUPAC4-[(2-methoxyphenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
SMILESCCCN1CCC(NC(=O)N2CCN(Cc3ccccc3OC)CC2)CC1
InChIInChI=1S/C21H34N4O2/c1-3-10-23-11-8-19(9-12-23)22-21(26)25-15-13-24(14-16-25)17-18-6-4-5-7-20(18)27-2/h4-7,19H,3,8-17H2,1-2H3,(H,22,26)
InChIKeyPGEXJIISMYYNQB-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.40
Rot. Bonds6

About 4-[(2-methoxyphenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide

4-[(2-methoxyphenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide (PubChem CID 121498652) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
PubChem CID121498652
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name4-[(2-methoxyphenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
SMILESCCCN1CCC(NC(=O)N2CCN(Cc3ccccc3OC)CC2)CC1
InChIInChI=1S/C21H34N4O2/c1-3-10-23-11-8-19(9-12-23)22-21(26)25-15-13-24(14-16-25)17-18-6-4-5-7-20(18)27-2/h4-7,19H,3,8-17H2,1-2H3,(H,22,26)
InChIKeyPGEXJIISMYYNQB-UHFFFAOYSA-N
XLogP2.40
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxybenzoyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
CID 127294442
N-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 17174343
N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 858309
2-methoxy-N-[1-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55979600
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 18121021
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
2-(3,4-dichlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 52719023
(4-ethylpiperazin-1-yl)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 163328426
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide
CID 56553050
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 55979347
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 126431258
2-amino-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]ethanone;hydrochloride
CID 174210783

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[(2-methoxyphenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide (CID 121498652) is 4-[(2-methoxyphenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2-methoxyphenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(2-methoxyphenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide is CCCN1CCC(NC(=O)N2CCN(Cc3ccccc3OC)CC2)CC1.
What is the InChIKey of 4-[(2-methoxyphenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide?
The InChIKey is PGEXJIISMYYNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-3-10-23-11-8-19(9-12-23)22-21(26)25-15-13-24(14-16-25)17-18-6-4-5-7-20(18)27-2/h4-7,19H,3,8-17H2,1-2H3,(H,22,26).
What are the key properties of 4-[(2-methoxyphenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide?
4-[(2-methoxyphenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 121498652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).