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

C19H22ClN3O2 — CID 53151028

IUPACN-(3-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC(CCOc2cccnc2)CC1
InChIInChI=1S/C19H22ClN3O2/c20-16-3-1-4-17(13-16)22-19(24)23-10-6-15(7-11-23)8-12-25-18-5-2-9-21-14-18/h1-5,9,13-15H,6-8,10-12H2,(H,22,24)
InChIKeyNVVHLJUVBNZBFU-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.45
Rot. Bonds5

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

N-(3-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide (PubChem CID 53151028) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
PubChem CID53151028
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-(3-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC(CCOc2cccnc2)CC1
InChIInChI=1S/C19H22ClN3O2/c20-16-3-1-4-17(13-16)22-19(24)23-10-6-15(7-11-23)8-12-25-18-5-2-9-21-14-18/h1-5,9,13-15H,6-8,10-12H2,(H,22,24)
InChIKeyNVVHLJUVBNZBFU-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-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566112
N-(2-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
CID 53151039
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 53214090
2-(2-chlorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151004
N-[(4-fluorophenyl)methyl]-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
CID 53151043
(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-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 646916
4-[2-[(4-butoxyphenyl)methylamino]-2-oxoethyl]-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 52998749
2-(4-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151003
N-(3-chlorophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
CID 53005028

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide (CID 53151028) is N-(3-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCC(CCOc2cccnc2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide?
The InChIKey is NVVHLJUVBNZBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-16-3-1-4-17(13-16)22-19(24)23-10-6-15(7-11-23)8-12-25-18-5-2-9-21-14-18/h1-5,9,13-15H,6-8,10-12H2,(H,22,24).
What are the key properties of N-(3-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide?
N-(3-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-(3-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 53151028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).