N-(3-chloro-4-methoxyphenyl)-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide

C19H22ClN3O2 — CID 155518700

IUPACN-(3-chloro-4-methoxyphenyl)-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ncccc3C)CC2)cc1Cl
InChIInChI=1S/C19H22ClN3O2/c1-13-4-3-9-21-18(13)23-10-7-14(8-11-23)19(24)22-15-5-6-17(25-2)16(20)12-15/h3-6,9,12,14H,7-8,10-11H2,1-2H3,(H,22,24)
InChIKeyLYNICYGLTYJRMV-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.91
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 155518700) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID155518700
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ncccc3C)CC2)cc1Cl
InChIInChI=1S/C19H22ClN3O2/c1-13-4-3-9-21-18(13)23-10-7-14(8-11-23)19(24)22-15-5-6-17(25-2)16(20)12-15/h3-6,9,12,14H,7-8,10-11H2,1-2H3,(H,22,24)
InChIKeyLYNICYGLTYJRMV-UHFFFAOYSA-N
XLogP3.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 155518700) is N-(3-chloro-4-methoxyphenyl)-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3ncccc3C)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is LYNICYGLTYJRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-13-4-3-9-21-18(13)23-10-7-14(8-11-23)19(24)22-15-5-6-17(25-2)16(20)12-15/h3-6,9,12,14H,7-8,10-11H2,1-2H3,(H,22,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 155518700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).