4-(3-chlorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)piperazine-1-carboxamide

C18H25ClN4O2S — CID 53368553

IUPAC4-(3-chlorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)N1CCSCC1
InChIInChI=1S/C18H25ClN4O2S/c1-14(17(24)22-9-11-26-12-10-22)20-18(25)23-7-5-21(6-8-23)16-4-2-3-15(19)13-16/h2-4,13-14H,5-12H2,1H3,(H,20,25)
InChIKeyHPGLLKGIOXUEGM-UHFFFAOYSA-N
MW396.94 g/mol
LogP2.14
Rot. Bonds3

About 4-(3-chlorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)piperazine-1-carboxamide

4-(3-chlorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)piperazine-1-carboxamide (PubChem CID 53368553) has the molecular formula C18H25ClN4O2S and a molecular weight of 396.94 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)piperazine-1-carboxamide
PubChem CID53368553
Molecular FormulaC18H25ClN4O2S
Molecular Weight396.94 g/mol
Exact Mass396.14
IUPAC Name4-(3-chlorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)N1CCSCC1
InChIInChI=1S/C18H25ClN4O2S/c1-14(17(24)22-9-11-26-12-10-22)20-18(25)23-7-5-21(6-8-23)16-4-2-3-15(19)13-16/h2-4,13-14H,5-12H2,1H3,(H,20,25)
InChIKeyHPGLLKGIOXUEGM-UHFFFAOYSA-N
XLogP2.14
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.94
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]piperazine-1-carboxamide
CID 52898029
4-(3-chlorophenyl)-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide
CID 41355861
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107020823
N-[(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 2576347
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829787
4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide
CID 52899872
methyl 2-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate
CID 3957217
N-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95395003
4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide
CID 33433718
N-benzhydryl-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108867549
4-(3,4-dichlorophenyl)-N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide
CID 96564120
4-(3-chlorophenyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazine-1-carboxamide
CID 25336780

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)piperazine-1-carboxamide (CID 53368553) is 4-(3-chlorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)piperazine-1-carboxamide is CC(NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)N1CCSCC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)piperazine-1-carboxamide?
The InChIKey is HPGLLKGIOXUEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O2S/c1-14(17(24)22-9-11-26-12-10-22)20-18(25)23-7-5-21(6-8-23)16-4-2-3-15(19)13-16/h2-4,13-14H,5-12H2,1H3,(H,20,25).
What are the key properties of 4-(3-chlorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)piperazine-1-carboxamide has a molecular weight of 396.94 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 53368553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).