1-[4-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]benzoyl]piperidine-4-carboxamide

C18H24N4O5S — CID 39342102

IUPAC1-[4-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(NC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CC1
InChIInChI=1S/C18H24N4O5S/c19-16(23)12-5-8-22(9-6-12)17(24)13-1-3-14(4-2-13)20-18(25)21-15-7-10-28(26,27)11-15/h1-4,12,15H,5-11H2,(H2,19,23)(H2,20,21,25)/t15-/m1/s1
InChIKeyCLXAFVKEBOZKSL-OAHLLOKOSA-N
MW408.48 g/mol
LogP0.33
Rot. Bonds4

About 1-[4-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]benzoyl]piperidine-4-carboxamide

1-[4-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]benzoyl]piperidine-4-carboxamide (PubChem CID 39342102) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-[4-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]benzoyl]piperidine-4-carboxamide
PubChem CID39342102
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC Name1-[4-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(NC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CC1
InChIInChI=1S/C18H24N4O5S/c19-16(23)12-5-8-22(9-6-12)17(24)13-1-3-14(4-2-13)20-18(25)21-15-7-10-28(26,27)11-15/h1-4,12,15H,5-11H2,(H2,19,23)(H2,20,21,25)/t15-/m1/s1
InChIKeyCLXAFVKEBOZKSL-OAHLLOKOSA-N
XLogP0.33
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]benzoyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[4-[(1,1-dioxothiolan-3-yl)carbamoylamino]phenyl]formamide
CID 102566557
1-(4-bromophenyl)-3-(1,1-dioxothiolan-3-yl)urea
CID 47191942
1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)urea
CID 7236834
4-[(1,1-dioxothian-3-yl)carbamoylamino]benzoic acid
CID 63923964
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 4830946
N-[4-[(1,1-dioxothiolan-3-yl)carbamoylamino]phenyl]propanamide
CID 102566392
1-(3,4-dimethoxyphenyl)-3-[(3S)-1,1-dioxothiolan-3-yl]urea
CID 52592483
N-(3-acetamidophenyl)-4-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide
CID 42654442
N-(3-acetylphenyl)-4-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide
CID 42655672
4-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 39342660
1-[(3R)-1,1-dioxothiolan-3-yl]-3-[4-[4-[4-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]urea
CID 99648184
4-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 39314332

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]benzoyl]piperidine-4-carboxamide (CID 39342102) is 1-[4-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]benzoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2ccc(NC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CC1.
What is the InChIKey of 1-[4-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]benzoyl]piperidine-4-carboxamide?
The InChIKey is CLXAFVKEBOZKSL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O5S/c19-16(23)12-5-8-22(9-6-12)17(24)13-1-3-14(4-2-13)20-18(25)21-15-7-10-28(26,27)11-15/h1-4,12,15H,5-11H2,(H2,19,23)(H2,20,21,25)/t15-/m1/s1.
What are the key properties of 1-[4-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]benzoyl]piperidine-4-carboxamide?
1-[4-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]benzoyl]piperidine-4-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 39342102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).