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

C16H22ClN3O — CID 41355861

IUPAC4-(3-chlorophenyl)-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CC1
InChIInChI=1S/C16H22ClN3O/c1-12(13-5-6-13)18-16(21)20-9-7-19(8-10-20)15-4-2-3-14(17)11-15/h2-4,11-13H,5-10H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyTZUASAFJJGOISH-LBPRGKRZSA-N
MW307.82 g/mol
LogP2.97
Rot. Bonds3

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

4-(3-chlorophenyl)-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide (PubChem CID 41355861) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide
PubChem CID41355861
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name4-(3-chlorophenyl)-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CC1
InChIInChI=1S/C16H22ClN3O/c1-12(13-5-6-13)18-16(21)20-9-7-19(8-10-20)15-4-2-3-14(17)11-15/h2-4,11-13H,5-10H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyTZUASAFJJGOISH-LBPRGKRZSA-N
XLogP2.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate
CID 3957217
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N-benzhydryl-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108867549
4-(3-chlorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)piperazine-1-carboxamide
CID 53368553
4-(3-chlorophenyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazine-1-carboxamide
CID 25336780
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 109144515
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CID 134006709
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107020823
4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide
CID 52899872
N-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95395003
4-(3-chlorophenyl)-N-(2-methoxy-4-methylphenyl)piperazine-1-carboxamide
CID 60562585
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide (CID 41355861) is 4-(3-chlorophenyl)-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide is C[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide?
The InChIKey is TZUASAFJJGOISH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-12(13-5-6-13)18-16(21)20-9-7-19(8-10-20)15-4-2-3-14(17)11-15/h2-4,11-13H,5-10H2,1H3,(H,18,21)/t12-/m0/s1.
What are the key properties of 4-(3-chlorophenyl)-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide has a molecular weight of 307.82 g/mol, XLogP of 2.97, 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-cyclopropylethyl]piperazine-1-carboxamide is sourced from PubChem (CID 41355861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).