1-[4,4-bis(4-fluorophenyl)butyl]-N,N-dimethylpiperazine-2-carboxamide

C23H29F2N3O — CID 21295711

IUPAC1-[4,4-bis(4-fluorophenyl)butyl]-N,N-dimethylpiperazine-2-carboxamide
SMILESCN(C)C(=O)C1CNCCN1CCCC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H29F2N3O/c1-27(2)23(29)22-16-26-13-15-28(22)14-3-4-21(17-5-9-19(24)10-6-17)18-7-11-20(25)12-8-18/h5-12,21-22,26H,3-4,13-16H2,1-2H3
InChIKeyAOLZKLKQSZDIFE-UHFFFAOYSA-N
MW401.50 g/mol
LogP3.24
Rot. Bonds7

About 1-[4,4-bis(4-fluorophenyl)butyl]-N,N-dimethylpiperazine-2-carboxamide

1-[4,4-bis(4-fluorophenyl)butyl]-N,N-dimethylpiperazine-2-carboxamide (PubChem CID 21295711) has the molecular formula C23H29F2N3O and a molecular weight of 401.50 g/mol. Its IUPAC name is 1-[4,4-bis(4-fluorophenyl)butyl]-N,N-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-[4,4-bis(4-fluorophenyl)butyl]-N,N-dimethylpiperazine-2-carboxamide
PubChem CID21295711
Molecular FormulaC23H29F2N3O
Molecular Weight401.50 g/mol
Exact Mass401.23
IUPAC Name1-[4,4-bis(4-fluorophenyl)butyl]-N,N-dimethylpiperazine-2-carboxamide
SMILESCN(C)C(=O)C1CNCCN1CCCC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H29F2N3O/c1-27(2)23(29)22-16-26-13-15-28(22)14-3-4-21(17-5-9-19(24)10-6-17)18-7-11-20(25)12-8-18/h5-12,21-22,26H,3-4,13-16H2,1-2H3
InChIKeyAOLZKLKQSZDIFE-UHFFFAOYSA-N
XLogP3.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Amperozide
CID 73333
Amperozide Hydrochloride
CID 73334
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(3R,7R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-7-methyl-3-[(2-methylphenyl)methyl]-1,4-diazepan-2-one
CID 11236208
(3R,7R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-[(2-fluorophenyl)methyl]-7-methyl-1,4-diazepan-2-one
CID 11270889
2-(3,3-Diphenylpropylamino)acetamide
CID 6603827
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2,2-diphenylacetamide
CID 5082502
1-Piperidineacetamide, N-(diphenylmethyl)-
CID 216494
(4R,5R)-5-amino-1-(2-phenylethyl)-4-(2,4,5-trifluorophenyl)piperidin-2-one
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(4R,5R)-5-amino-1-(3-phenylpropyl)-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16204464
(4R,5R)-5-amino-1-[(2S)-2-phenylpropyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16204465
(3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-3-methylpiperazin-2-one
CID 23646443

Frequently Asked Questions

What is the IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-N,N-dimethylpiperazine-2-carboxamide?
The IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-N,N-dimethylpiperazine-2-carboxamide (CID 21295711) is 1-[4,4-bis(4-fluorophenyl)butyl]-N,N-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-[4,4-bis(4-fluorophenyl)butyl]-N,N-dimethylpiperazine-2-carboxamide?
The canonical SMILES for 1-[4,4-bis(4-fluorophenyl)butyl]-N,N-dimethylpiperazine-2-carboxamide is CN(C)C(=O)C1CNCCN1CCCC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-[4,4-bis(4-fluorophenyl)butyl]-N,N-dimethylpiperazine-2-carboxamide?
The InChIKey is AOLZKLKQSZDIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N3O/c1-27(2)23(29)22-16-26-13-15-28(22)14-3-4-21(17-5-9-19(24)10-6-17)18-7-11-20(25)12-8-18/h5-12,21-22,26H,3-4,13-16H2,1-2H3.
What are the key properties of 1-[4,4-bis(4-fluorophenyl)butyl]-N,N-dimethylpiperazine-2-carboxamide?
1-[4,4-bis(4-fluorophenyl)butyl]-N,N-dimethylpiperazine-2-carboxamide has a molecular weight of 401.50 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-bis(4-fluorophenyl)butyl]-N,N-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 21295711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).