N-[1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-methoxybenzamide

C29H38N4O3 — CID 46038397

IUPACN-[1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N3CCN(C4CCCC4)CC3)CC2)cc1
InChIInChI=1S/C29H38N4O3/c1-36-25-12-10-22(11-13-25)28(34)30-23-14-16-32(17-15-23)27-9-5-4-8-26(27)29(35)33-20-18-31(19-21-33)24-6-2-3-7-24/h4-5,8-13,23-24H,2-3,6-7,14-21H2,1H3,(H,30,34)
InChIKeyKGOMBZZCOHIARO-UHFFFAOYSA-N
MW490.65 g/mol
LogP3.79
Rot. Bonds6

About N-[1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-methoxybenzamide

N-[1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-methoxybenzamide (PubChem CID 46038397) has the molecular formula C29H38N4O3 and a molecular weight of 490.65 g/mol. Its IUPAC name is N-[1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-methoxybenzamide
PubChem CID46038397
Molecular FormulaC29H38N4O3
Molecular Weight490.65 g/mol
Exact Mass490.29
IUPAC NameN-[1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N3CCN(C4CCCC4)CC3)CC2)cc1
InChIInChI=1S/C29H38N4O3/c1-36-25-12-10-22(11-13-25)28(34)30-23-14-16-32(17-15-23)27-9-5-4-8-26(27)29(35)33-20-18-31(19-21-33)24-6-2-3-7-24/h4-5,8-13,23-24H,2-3,6-7,14-21H2,1H3,(H,30,34)
InChIKeyKGOMBZZCOHIARO-UHFFFAOYSA-N
XLogP3.79
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(4-cycloheptylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-fluorobenzamide
CID 46038445
N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548886
4-ethyl-N-[1-[2-(4-methylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46156215
4-ethyl-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038111
4-methoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108548880
2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038031
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-nitrobenzamide
CID 42848245
2-[4-[(4-methoxybenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 46037601
N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3,5-difluorobenzamide
CID 46037981
methyl N-[1-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]carbamate
CID 46038431
4-methoxy-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108548897

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-methoxybenzamide?
The IUPAC name of N-[1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-methoxybenzamide (CID 46038397) is N-[1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-methoxybenzamide?
The canonical SMILES for N-[1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-methoxybenzamide is COc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N3CCN(C4CCCC4)CC3)CC2)cc1.
What is the InChIKey of N-[1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-methoxybenzamide?
The InChIKey is KGOMBZZCOHIARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O3/c1-36-25-12-10-22(11-13-25)28(34)30-23-14-16-32(17-15-23)27-9-5-4-8-26(27)29(35)33-20-18-31(19-21-33)24-6-2-3-7-24/h4-5,8-13,23-24H,2-3,6-7,14-21H2,1H3,(H,30,34).
What are the key properties of N-[1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-methoxybenzamide?
N-[1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-methoxybenzamide has a molecular weight of 490.65 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-methoxybenzamide is sourced from PubChem (CID 46038397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).