N-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide

C20H25N3O2 — CID 84573352

IUPACN-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2ccnc(N3CCCCC3)c2)cc1
InChIInChI=1S/C20H25N3O2/c1-15(16-6-8-18(25-2)9-7-16)22-20(24)17-10-11-21-19(14-17)23-12-4-3-5-13-23/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,22,24)
InChIKeyBHHKZAABVPCCTR-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.57
Rot. Bonds5

About N-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide

N-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide (PubChem CID 84573352) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide
PubChem CID84573352
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2ccnc(N3CCCCC3)c2)cc1
InChIInChI=1S/C20H25N3O2/c1-15(16-6-8-18(25-2)9-7-16)22-20(24)17-10-11-21-19(14-17)23-12-4-3-5-13-23/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,22,24)
InChIKeyBHHKZAABVPCCTR-UHFFFAOYSA-N
XLogP3.57
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 43910482
2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109176065
ethyl 4-[4-(1-phenylethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxylate
CID 109170069
N-[(1R)-1-phenylethyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 95103431
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
3-(azepan-1-ylsulfonyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 53285817
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 96582836
N-[1-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 53285830
N-[1-(4-methoxyphenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 53281706
N-[1-(4-ethoxyphenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide
CID 50848119
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 92674988

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide (CID 84573352) is N-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide is COc1ccc(C(C)NC(=O)c2ccnc(N3CCCCC3)c2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide?
The InChIKey is BHHKZAABVPCCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15(16-6-8-18(25-2)9-7-16)22-20(24)17-10-11-21-19(14-17)23-12-4-3-5-13-23/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide?
N-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 84573352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).