4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide

C18H21ClN4O — CID 33433718

IUPAC4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccncc1
InChIInChI=1S/C18H21ClN4O/c1-14(15-5-7-20-8-6-15)21-18(24)23-11-9-22(10-12-23)17-4-2-3-16(19)13-17/h2-8,13-14H,9-12H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyPIUOPAAPHDZRHU-AWEZNQCLSA-N
MW344.85 g/mol
LogP3.33
Rot. Bonds3

About 4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide

4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide (PubChem CID 33433718) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide
PubChem CID33433718
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccncc1
InChIInChI=1S/C18H21ClN4O/c1-14(15-5-7-20-8-6-15)21-18(24)23-11-9-22(10-12-23)17-4-2-3-16(19)13-17/h2-8,13-14H,9-12H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyPIUOPAAPHDZRHU-AWEZNQCLSA-N
XLogP3.33
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazine-1-carboxamide
CID 25336780
4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide
CID 52899872
4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]piperazine-1-carboxamide
CID 52899538
4-(3-chlorophenyl)-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide
CID 41355861
N-benzhydryl-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108867549
4-(3-chlorophenyl)-N-(1-phenylethyl)piperazine-1-carbothioamide
CID 19654606
methyl 2-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate
CID 3957217
4-(3-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide
CID 108989247
4-(3-chlorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)piperazine-1-carboxamide
CID 53368553
N-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95395003
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 119049218
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide (CID 33433718) is 4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide is C[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccncc1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide?
The InChIKey is PIUOPAAPHDZRHU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-14(15-5-7-20-8-6-15)21-18(24)23-11-9-22(10-12-23)17-4-2-3-16(19)13-17/h2-8,13-14H,9-12H2,1H3,(H,21,24)/t14-/m0/s1.
What are the key properties of 4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide is sourced from PubChem (CID 33433718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).