4-[[2-(3-chlorophenyl)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide

C17H24ClN3O2 — CID 110822388

IUPAC4-[[2-(3-chlorophenyl)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(NC(=O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-12(2)19-17(23)21-8-6-15(7-9-21)20-16(22)11-13-4-3-5-14(18)10-13/h3-5,10,12,15H,6-9,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyJIEKQLMIVZIOST-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.58
Rot. Bonds4

About 4-[[2-(3-chlorophenyl)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide

4-[[2-(3-chlorophenyl)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 110822388) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 4-[[2-(3-chlorophenyl)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-(3-chlorophenyl)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID110822388
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name4-[[2-(3-chlorophenyl)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(NC(=O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-12(2)19-17(23)21-8-6-15(7-9-21)20-16(22)11-13-4-3-5-14(18)10-13/h3-5,10,12,15H,6-9,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyJIEKQLMIVZIOST-UHFFFAOYSA-N
XLogP2.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822348
4-[[1-(3-chlorophenyl)propan-2-yl-ethylamino]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 18353084
N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 110822347
2-(3-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide
CID 63625205
N-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 113274232
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 62504081
4-[[2-(3-fluorophenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822394
2-(3-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32541358
N-(1-acetylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 110715006
2-(3-chlorophenyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 112537658
4-(3,3-dimethylbutanoylamino)-N-propan-2-ylpiperidine-1-carboxamide
CID 110822375
4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822362

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-chlorophenyl)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[[2-(3-chlorophenyl)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide (CID 110822388) is 4-[[2-(3-chlorophenyl)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[2-(3-chlorophenyl)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[2-(3-chlorophenyl)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCC(NC(=O)Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 4-[[2-(3-chlorophenyl)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is JIEKQLMIVZIOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-12(2)19-17(23)21-8-6-15(7-9-21)20-16(22)11-13-4-3-5-14(18)10-13/h3-5,10,12,15H,6-9,11H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 4-[[2-(3-chlorophenyl)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide?
4-[[2-(3-chlorophenyl)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-chlorophenyl)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 110822388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).