4-(4,4-diphenylbutyl)-N-ethylpiperazine-1-carboxamide

C23H31N3O — CID 157300457

IUPAC4-(4,4-diphenylbutyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CCCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H31N3O/c1-2-24-23(27)26-18-16-25(17-19-26)15-9-14-22(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,22H,2,9,14-19H2,1H3,(H,24,27)
InChIKeyBBVMMJCBVYBUAN-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.95
Rot. Bonds7

About 4-(4,4-diphenylbutyl)-N-ethylpiperazine-1-carboxamide

4-(4,4-diphenylbutyl)-N-ethylpiperazine-1-carboxamide (PubChem CID 157300457) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 4-(4,4-diphenylbutyl)-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4,4-diphenylbutyl)-N-ethylpiperazine-1-carboxamide
PubChem CID157300457
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name4-(4,4-diphenylbutyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CCCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H31N3O/c1-2-24-23(27)26-18-16-25(17-19-26)15-9-14-22(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,22H,2,9,14-19H2,1H3,(H,24,27)
InChIKeyBBVMMJCBVYBUAN-UHFFFAOYSA-N
XLogP3.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-[4-(4-fluorophenyl)-4-hydroxybutyl]piperazine-1-carboxamide;hydrochloride
CID 70382435
4-[4,4-bis(4-fluorophenyl)butyl]-N-methylpiperazine-1-carboxamide
CID 57059266
N-ethyl-4-[4-(4-fluorophenyl)-5-methylhexyl]piperazine-1-carboxamide
CID 70381560
4-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-ethylpiperazine-1-carboxamide
CID 86912387
4-(3-aminopropyl)-N-ethylpiperazine-1-carboxamide
CID 43251283
N-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide
CID 95234927
N-ethyl-4-[(2R)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide
CID 95234926
4-(4-cyanobutyl)-N-ethylpiperazine-1-carboxamide
CID 87013481
1-(4-butylpiperazin-1-yl)-3,3-diphenylpropan-1-one
CID 20795205
N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride
CID 70476620
4-(3-amino-2-methyl-3-phenylpropanoyl)-N-ethylpiperazine-1-carboxamide
CID 119695716
N-ethyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboxamide
CID 86912395

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-diphenylbutyl)-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-(4,4-diphenylbutyl)-N-ethylpiperazine-1-carboxamide (CID 157300457) is 4-(4,4-diphenylbutyl)-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4,4-diphenylbutyl)-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4,4-diphenylbutyl)-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(CCCC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-(4,4-diphenylbutyl)-N-ethylpiperazine-1-carboxamide?
The InChIKey is BBVMMJCBVYBUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-2-24-23(27)26-18-16-25(17-19-26)15-9-14-22(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,22H,2,9,14-19H2,1H3,(H,24,27).
What are the key properties of 4-(4,4-diphenylbutyl)-N-ethylpiperazine-1-carboxamide?
4-(4,4-diphenylbutyl)-N-ethylpiperazine-1-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-diphenylbutyl)-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 157300457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).