N-cyclopentyl-1-(4-pyrimidin-5-ylbenzoyl)piperidine-4-carboxamide

C22H26N4O2 — CID 134800129

IUPACN-cyclopentyl-1-(4-pyrimidin-5-ylbenzoyl)piperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(C(=O)c2ccc(-c3cncnc3)cc2)CC1
InChIInChI=1S/C22H26N4O2/c27-21(25-20-3-1-2-4-20)17-9-11-26(12-10-17)22(28)18-7-5-16(6-8-18)19-13-23-15-24-14-19/h5-8,13-15,17,20H,1-4,9-12H2,(H,25,27)
InChIKeyYHXAZXNEOUCDPO-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.05
Rot. Bonds4

About N-cyclopentyl-1-(4-pyrimidin-5-ylbenzoyl)piperidine-4-carboxamide

N-cyclopentyl-1-(4-pyrimidin-5-ylbenzoyl)piperidine-4-carboxamide (PubChem CID 134800129) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-cyclopentyl-1-(4-pyrimidin-5-ylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(4-pyrimidin-5-ylbenzoyl)piperidine-4-carboxamide
PubChem CID134800129
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-cyclopentyl-1-(4-pyrimidin-5-ylbenzoyl)piperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(C(=O)c2ccc(-c3cncnc3)cc2)CC1
InChIInChI=1S/C22H26N4O2/c27-21(25-20-3-1-2-4-20)17-9-11-26(12-10-17)22(28)18-7-5-16(6-8-18)19-13-23-15-24-14-19/h5-8,13-15,17,20H,1-4,9-12H2,(H,25,27)
InChIKeyYHXAZXNEOUCDPO-UHFFFAOYSA-N
XLogP3.05
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]acetamide
CID 134803759
N-cyclopentyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26017391
(3-methylpiperidin-1-yl)-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]methanone
CID 134796273
N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
N-cyclopentyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 20972945
N-cyclopentyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087604
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673425
N-[1-(4-nitrobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817993
1-(2-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide
CID 1072799
N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821254

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(4-pyrimidin-5-ylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-(4-pyrimidin-5-ylbenzoyl)piperidine-4-carboxamide (CID 134800129) is N-cyclopentyl-1-(4-pyrimidin-5-ylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(4-pyrimidin-5-ylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(4-pyrimidin-5-ylbenzoyl)piperidine-4-carboxamide is O=C(NC1CCCC1)C1CCN(C(=O)c2ccc(-c3cncnc3)cc2)CC1.
What is the InChIKey of N-cyclopentyl-1-(4-pyrimidin-5-ylbenzoyl)piperidine-4-carboxamide?
The InChIKey is YHXAZXNEOUCDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-21(25-20-3-1-2-4-20)17-9-11-26(12-10-17)22(28)18-7-5-16(6-8-18)19-13-23-15-24-14-19/h5-8,13-15,17,20H,1-4,9-12H2,(H,25,27).
What are the key properties of N-cyclopentyl-1-(4-pyrimidin-5-ylbenzoyl)piperidine-4-carboxamide?
N-cyclopentyl-1-(4-pyrimidin-5-ylbenzoyl)piperidine-4-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(4-pyrimidin-5-ylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 134800129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).