4-(3-chlorophenyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazine-1-carboxamide

C19H20ClF2N3O — CID 25336780

IUPAC4-(3-chlorophenyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H20ClF2N3O/c1-13(14-5-6-17(21)18(22)11-14)23-19(26)25-9-7-24(8-10-25)16-4-2-3-15(20)12-16/h2-6,11-13H,7-10H2,1H3,(H,23,26)/t13-/m0/s1
InChIKeyYQRQPUFWHVRCGV-ZDUSSCGKSA-N
MW379.84 g/mol
LogP4.21
Rot. Bonds3

About 4-(3-chlorophenyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazine-1-carboxamide

4-(3-chlorophenyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazine-1-carboxamide (PubChem CID 25336780) has the molecular formula C19H20ClF2N3O and a molecular weight of 379.84 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazine-1-carboxamide
PubChem CID25336780
Molecular FormulaC19H20ClF2N3O
Molecular Weight379.84 g/mol
Exact Mass379.13
IUPAC Name4-(3-chlorophenyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H20ClF2N3O/c1-13(14-5-6-17(21)18(22)11-14)23-19(26)25-9-7-24(8-10-25)16-4-2-3-15(20)12-16/h2-6,11-13H,7-10H2,1H3,(H,23,26)/t13-/m0/s1
InChIKeyYQRQPUFWHVRCGV-ZDUSSCGKSA-N
XLogP4.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide
CID 33433718
4-(3-chlorophenyl)-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide
CID 41355861
N-benzhydryl-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108867549
methyl 2-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate
CID 3957217
N-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 94659172
4-(3-chlorophenyl)-N-(1-phenylethyl)piperazine-1-carbothioamide
CID 19654606
4-acetyl-N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-1,4-diazepane-1-carboxamide
CID 124626621
4-(3-chlorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)piperazine-1-carboxamide
CID 53368553
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 119049218
4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 86987085
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107020823

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazine-1-carboxamide (CID 25336780) is 4-(3-chlorophenyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazine-1-carboxamide is C[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is YQRQPUFWHVRCGV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20ClF2N3O/c1-13(14-5-6-17(21)18(22)11-14)23-19(26)25-9-7-24(8-10-25)16-4-2-3-15(20)12-16/h2-6,11-13H,7-10H2,1H3,(H,23,26)/t13-/m0/s1.
What are the key properties of 4-(3-chlorophenyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 379.84 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 25336780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).