N-[[4-(piperazine-1-carbonyl)phenyl]methyl]cyclohexanecarboxamide

C19H27N3O2 — CID 39162933

IUPACN-[[4-(piperazine-1-carbonyl)phenyl]methyl]cyclohexanecarboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCNCC2)cc1)C1CCCCC1
InChIInChI=1S/C19H27N3O2/c23-18(16-4-2-1-3-5-16)21-14-15-6-8-17(9-7-15)19(24)22-12-10-20-11-13-22/h6-9,16,20H,1-5,10-14H2,(H,21,23)
InChIKeyCJBKYEWJZIHQTF-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.93
Rot. Bonds4

About N-[[4-(piperazine-1-carbonyl)phenyl]methyl]cyclohexanecarboxamide

N-[[4-(piperazine-1-carbonyl)phenyl]methyl]cyclohexanecarboxamide (PubChem CID 39162933) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[[4-(piperazine-1-carbonyl)phenyl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[4-(piperazine-1-carbonyl)phenyl]methyl]cyclohexanecarboxamide
PubChem CID39162933
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[[4-(piperazine-1-carbonyl)phenyl]methyl]cyclohexanecarboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCNCC2)cc1)C1CCCCC1
InChIInChI=1S/C19H27N3O2/c23-18(16-4-2-1-3-5-16)21-14-15-6-8-17(9-7-15)19(24)22-12-10-20-11-13-22/h6-9,16,20H,1-5,10-14H2,(H,21,23)
InChIKeyCJBKYEWJZIHQTF-UHFFFAOYSA-N
XLogP1.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
N-[[4-(4-aminopiperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide;hydrochloride
CID 119375294
N-[(4-carbamothioylphenyl)methyl]cyclooctanecarboxamide
CID 65018764
(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]piperazine-2-carboxamide
CID 56867645
(2R)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]oxane-2-carboxamide
CID 125158287
(3S,4S)-1-[4-[(cyclopentanecarbonylamino)methyl]benzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952414
(3R)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 51948137
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159694
4-[(cyclopentanecarbonylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452392
1-(4-fluorobenzoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55454977
1-(4-fluorobenzoyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 55657080

Frequently Asked Questions

What is the IUPAC name of N-[[4-(piperazine-1-carbonyl)phenyl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[4-(piperazine-1-carbonyl)phenyl]methyl]cyclohexanecarboxamide (CID 39162933) is N-[[4-(piperazine-1-carbonyl)phenyl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[4-(piperazine-1-carbonyl)phenyl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[4-(piperazine-1-carbonyl)phenyl]methyl]cyclohexanecarboxamide is O=C(NCc1ccc(C(=O)N2CCNCC2)cc1)C1CCCCC1.
What is the InChIKey of N-[[4-(piperazine-1-carbonyl)phenyl]methyl]cyclohexanecarboxamide?
The InChIKey is CJBKYEWJZIHQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-18(16-4-2-1-3-5-16)21-14-15-6-8-17(9-7-15)19(24)22-12-10-20-11-13-22/h6-9,16,20H,1-5,10-14H2,(H,21,23).
What are the key properties of N-[[4-(piperazine-1-carbonyl)phenyl]methyl]cyclohexanecarboxamide?
N-[[4-(piperazine-1-carbonyl)phenyl]methyl]cyclohexanecarboxamide has a molecular weight of 329.44 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(piperazine-1-carbonyl)phenyl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 39162933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).