N-(2-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide

C19H22ClN3O2 — CID 53151039

IUPACN-(2-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCC(CCOc2cccnc2)CC1
InChIInChI=1S/C19H22ClN3O2/c20-17-5-1-2-6-18(17)22-19(24)23-11-7-15(8-12-23)9-13-25-16-4-3-10-21-14-16/h1-6,10,14-15H,7-9,11-13H2,(H,22,24)
InChIKeyKBLTUQFEBBYHPF-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.45
Rot. Bonds5

About N-(2-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide

N-(2-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide (PubChem CID 53151039) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
PubChem CID53151039
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-(2-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCC(CCOc2cccnc2)CC1
InChIInChI=1S/C19H22ClN3O2/c20-17-5-1-2-6-18(17)22-19(24)23-11-7-15(8-12-23)9-13-25-16-4-3-10-21-14-16/h1-6,10,14-15H,7-9,11-13H2,(H,22,24)
InChIKeyKBLTUQFEBBYHPF-UHFFFAOYSA-N
XLogP4.45
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
CID 53151028
2-(2-chlorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151004
N-(2-methoxyphenyl)-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide
CID 53150975
N-[(4-fluorophenyl)methyl]-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
CID 53151043
N-(2-chlorophenyl)-4-(ethylaminomethyl)piperidine-1-carboxamide
CID 80552313
2-(4-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151003
(3-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone
CID 53150992
2-(3-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151002
N-(2-chlorophenyl)-4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidine-1-carboxamide
CID 154576436
[4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 53150710
N-benzyl-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide
CID 53150970
1-[4-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 53150715

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide (CID 53151039) is N-(2-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide is O=C(Nc1ccccc1Cl)N1CCC(CCOc2cccnc2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide?
The InChIKey is KBLTUQFEBBYHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-17-5-1-2-6-18(17)22-19(24)23-11-7-15(8-12-23)9-13-25-16-4-3-10-21-14-16/h1-6,10,14-15H,7-9,11-13H2,(H,22,24).
What are the key properties of N-(2-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide?
N-(2-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 53151039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).