3-N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide

C17H24ClN3O2S — CID 70769016

IUPAC3-N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCCC(C(=O)NCCCSCc2ccccc2Cl)C1
InChIInChI=1S/C17H24ClN3O2S/c18-15-7-2-1-5-14(15)12-24-10-4-8-20-16(22)13-6-3-9-21(11-13)17(19)23/h1-2,5,7,13H,3-4,6,8-12H2,(H2,19,23)(H,20,22)
InChIKeyGFCSNKPKBBXCRD-UHFFFAOYSA-N
MW369.92 g/mol
LogP2.87
Rot. Bonds7

About 3-N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide

3-N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide (PubChem CID 70769016) has the molecular formula C17H24ClN3O2S and a molecular weight of 369.92 g/mol. Its IUPAC name is 3-N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide
PubChem CID70769016
Molecular FormulaC17H24ClN3O2S
Molecular Weight369.92 g/mol
Exact Mass369.13
IUPAC Name3-N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCCC(C(=O)NCCCSCc2ccccc2Cl)C1
InChIInChI=1S/C17H24ClN3O2S/c18-15-7-2-1-5-14(15)12-24-10-4-8-20-16(22)13-6-3-9-21(11-13)17(19)23/h1-2,5,7,13H,3-4,6,8-12H2,(H2,19,23)(H,20,22)
InChIKeyGFCSNKPKBBXCRD-UHFFFAOYSA-N
XLogP2.87
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-N-[3-(furan-2-ylmethylsulfanyl)propyl]piperidine-1,3-dicarboxamide
CID 97454873
(3S)-1-[(2-chlorophenyl)methyl]-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 93491132
(3R)-3-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide
CID 97145050
(3R)-3-N-[2-(2,3-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 95156511
3-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]piperidine-1,3-dicarboxamide
CID 70742198
(3R)-1-acetyl-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 97195010
N-(2-benzylsulfanylethyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43920746
N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931428
(3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081950
(3R)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081948
N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935240
(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide (CID 70769016) is 3-N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide is NC(=O)N1CCCC(C(=O)NCCCSCc2ccccc2Cl)C1.
What is the InChIKey of 3-N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide?
The InChIKey is GFCSNKPKBBXCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2S/c18-15-7-2-1-5-14(15)12-24-10-4-8-20-16(22)13-6-3-9-21(11-13)17(19)23/h1-2,5,7,13H,3-4,6,8-12H2,(H2,19,23)(H,20,22).
What are the key properties of 3-N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide?
3-N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide has a molecular weight of 369.92 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 70769016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).