carbonic acid;N-cyclohexyl-4-(2-piperazin-1-ylethyl)benzamide

C20H31N3O4 — CID 22362372

IUPACcarbonic acid;N-cyclohexyl-4-(2-piperazin-1-ylethyl)benzamide
SMILESO=C(NC1CCCCC1)c1ccc(CCN2CCNCC2)cc1.O=C(O)O
InChIInChI=1S/C19H29N3O.CH2O3/c23-19(21-18-4-2-1-3-5-18)17-8-6-16(7-9-17)10-13-22-14-11-20-12-15-22;2-1(3)4/h6-9,18,20H,1-5,10-15H2,(H,21,23);(H2,2,3,4)
InChIKeyJIPOTWKMQDWCCN-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.42
Rot. Bonds5

About carbonic acid;N-cyclohexyl-4-(2-piperazin-1-ylethyl)benzamide

carbonic acid;N-cyclohexyl-4-(2-piperazin-1-ylethyl)benzamide (PubChem CID 22362372) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is carbonic acid;N-cyclohexyl-4-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Namecarbonic acid;N-cyclohexyl-4-(2-piperazin-1-ylethyl)benzamide
PubChem CID22362372
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Namecarbonic acid;N-cyclohexyl-4-(2-piperazin-1-ylethyl)benzamide
SMILESO=C(NC1CCCCC1)c1ccc(CCN2CCNCC2)cc1.O=C(O)O
InChIInChI=1S/C19H29N3O.CH2O3/c23-19(21-18-4-2-1-3-5-18)17-8-6-16(7-9-17)10-13-22-14-11-20-12-15-22;2-1(3)4/h6-9,18,20H,1-5,10-15H2,(H,21,23);(H2,2,3,4)
InChIKeyJIPOTWKMQDWCCN-UHFFFAOYSA-N
XLogP2.42
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide
CID 21413251
4-(2-piperazin-1-ylethyl)benzamide
CID 84696960
N-cyclohexyl-4-(2-pyridin-4-ylethyl)benzamide
CID 67802758
carbonic acid;N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide
CID 67802755
N-cyclopentyl-4-(hydroxymethyl)benzamide
CID 60636896
1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea
CID 4056008
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
4-butyl-N-cyclopentylbenzamide
CID 60674795
N-cyclohexyl-3-piperazin-1-ylpropanamide
CID 28807752
N-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide
CID 21413261
4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide
CID 34799426
4-(cyclohexylmethoxy)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448595

Frequently Asked Questions

What is the IUPAC name of carbonic acid;N-cyclohexyl-4-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of carbonic acid;N-cyclohexyl-4-(2-piperazin-1-ylethyl)benzamide (CID 22362372) is carbonic acid;N-cyclohexyl-4-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for carbonic acid;N-cyclohexyl-4-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for carbonic acid;N-cyclohexyl-4-(2-piperazin-1-ylethyl)benzamide is O=C(NC1CCCCC1)c1ccc(CCN2CCNCC2)cc1.O=C(O)O.
What is the InChIKey of carbonic acid;N-cyclohexyl-4-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is JIPOTWKMQDWCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O.CH2O3/c23-19(21-18-4-2-1-3-5-18)17-8-6-16(7-9-17)10-13-22-14-11-20-12-15-22;2-1(3)4/h6-9,18,20H,1-5,10-15H2,(H,21,23);(H2,2,3,4).
What are the key properties of carbonic acid;N-cyclohexyl-4-(2-piperazin-1-ylethyl)benzamide?
carbonic acid;N-cyclohexyl-4-(2-piperazin-1-ylethyl)benzamide has a molecular weight of 377.49 g/mol, XLogP of 2.42, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;N-cyclohexyl-4-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 22362372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).