1-(5-chloro-2-pyridinyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide

C20H24ClN3OS — CID 38975761

IUPAC1-(5-chloro-2-pyridinyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCSc1ccccc1)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C20H24ClN3OS/c21-17-7-8-19(23-15-17)24-12-9-16(10-13-24)20(25)22-11-4-14-26-18-5-2-1-3-6-18/h1-3,5-8,15-16H,4,9-14H2,(H,22,25)
InChIKeyLIJJUYUSCVHUDD-UHFFFAOYSA-N
MW389.95 g/mol
LogP4.25
Rot. Bonds7

About 1-(5-chloro-2-pyridinyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide

1-(5-chloro-2-pyridinyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide (PubChem CID 38975761) has the molecular formula C20H24ClN3OS and a molecular weight of 389.95 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide
PubChem CID38975761
Molecular FormulaC20H24ClN3OS
Molecular Weight389.95 g/mol
Exact Mass389.13
IUPAC Name1-(5-chloro-2-pyridinyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCSc1ccccc1)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C20H24ClN3OS/c21-17-7-8-19(23-15-17)24-12-9-16(10-13-24)20(25)22-11-4-14-26-18-5-2-1-3-6-18/h1-3,5-8,15-16H,4,9-14H2,(H,22,25)
InChIKeyLIJJUYUSCVHUDD-UHFFFAOYSA-N
XLogP4.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-pyridinyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-4-carboxamide
CID 47918136
N-[(4-chlorophenyl)methyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39705993
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
N-(2-chlorophenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38952409
1-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide
CID 38572415
1-(5-chloro-2-pyridinyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 39476204
N-(1,3-benzothiazol-2-ylmethyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39703925
1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 39394641
N-(2-aminoethyl)-1-[5-(1-sulfanylethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 146555271
1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 16597727
1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71935267
1-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 50768489

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide (CID 38975761) is 1-(5-chloro-2-pyridinyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide is O=C(NCCCSc1ccccc1)C1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide?
The InChIKey is LIJJUYUSCVHUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3OS/c21-17-7-8-19(23-15-17)24-12-9-16(10-13-24)20(25)22-11-4-14-26-18-5-2-1-3-6-18/h1-3,5-8,15-16H,4,9-14H2,(H,22,25).
What are the key properties of 1-(5-chloro-2-pyridinyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide?
1-(5-chloro-2-pyridinyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide has a molecular weight of 389.95 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 38975761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).