N-(4-methoxyphenyl)-2-(2-pyridin-3-ylethyl)piperidine-1-carboxamide

C20H25N3O2 — CID 161443494

IUPACN-(4-methoxyphenyl)-2-(2-pyridin-3-ylethyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCCC2CCc2cccnc2)cc1
InChIInChI=1S/C20H25N3O2/c1-25-19-11-8-17(9-12-19)22-20(24)23-14-3-2-6-18(23)10-7-16-5-4-13-21-15-16/h4-5,8-9,11-13,15,18H,2-3,6-7,10,14H2,1H3,(H,22,24)
InChIKeyVZPAXOPVTJGNSH-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.11
Rot. Bonds5

About N-(4-methoxyphenyl)-2-(2-pyridin-3-ylethyl)piperidine-1-carboxamide

N-(4-methoxyphenyl)-2-(2-pyridin-3-ylethyl)piperidine-1-carboxamide (PubChem CID 161443494) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(2-pyridin-3-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(2-pyridin-3-ylethyl)piperidine-1-carboxamide
PubChem CID161443494
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(4-methoxyphenyl)-2-(2-pyridin-3-ylethyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCCC2CCc2cccnc2)cc1
InChIInChI=1S/C20H25N3O2/c1-25-19-11-8-17(9-12-19)22-20(24)23-14-3-2-6-18(23)10-7-16-5-4-13-21-15-16/h4-5,8-9,11-13,15,18H,2-3,6-7,10,14H2,1H3,(H,22,24)
InChIKeyVZPAXOPVTJGNSH-UHFFFAOYSA-N
XLogP4.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[2-(dimethylamino)ethyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 97331505
(2R)-N-(4-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 94821286
(2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95708222
N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878344
N-(4-chlorophenyl)-2-(2-pyridin-3-ylethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797152
tert-butyl 4-[(4-chlorophenyl)carbamoyl]-3-(pyridin-3-ylmethyl)piperazine-1-carboxylate;N-(4-chlorophenyl)-2-(pyridin-3-ylmethyl)piperidine-1-carboxamide;dihydrochloride
CID 161088832
2-benzyl-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide
CID 51134992
1-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 46988256
2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 51107826
1-(4-methoxyphenyl)-3-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]urea
CID 51039045
N-[4-(4-methoxyphenyl)phenyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878565
1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione
CID 86285047

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(2-pyridin-3-ylethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(2-pyridin-3-ylethyl)piperidine-1-carboxamide (CID 161443494) is N-(4-methoxyphenyl)-2-(2-pyridin-3-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(2-pyridin-3-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(2-pyridin-3-ylethyl)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCCCC2CCc2cccnc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(2-pyridin-3-ylethyl)piperidine-1-carboxamide?
The InChIKey is VZPAXOPVTJGNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-19-11-8-17(9-12-19)22-20(24)23-14-3-2-6-18(23)10-7-16-5-4-13-21-15-16/h4-5,8-9,11-13,15,18H,2-3,6-7,10,14H2,1H3,(H,22,24).
What are the key properties of N-(4-methoxyphenyl)-2-(2-pyridin-3-ylethyl)piperidine-1-carboxamide?
N-(4-methoxyphenyl)-2-(2-pyridin-3-ylethyl)piperidine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(2-pyridin-3-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 161443494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).