N-(5-chloro-2-methoxyphenyl)-3-[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]propanamide

C20H25ClN4O2 — CID 72931584

IUPACN-(5-chloro-2-methoxyphenyl)-3-[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCC1CCCN(Cc2ncccn2)C1
InChIInChI=1S/C20H25ClN4O2/c1-27-18-7-6-16(21)12-17(18)24-20(26)8-5-15-4-2-11-25(13-15)14-19-22-9-3-10-23-19/h3,6-7,9-10,12,15H,2,4-5,8,11,13-14H2,1H3,(H,24,26)
InChIKeyWIZHKLGBGHROPI-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.77
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-3-[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]propanamide

N-(5-chloro-2-methoxyphenyl)-3-[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]propanamide (PubChem CID 72931584) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]propanamide
PubChem CID72931584
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCC1CCCN(Cc2ncccn2)C1
InChIInChI=1S/C20H25ClN4O2/c1-27-18-7-6-16(21)12-17(18)24-20(26)8-5-15-4-2-11-25(13-15)14-19-22-9-3-10-23-19/h3,6-7,9-10,12,15H,2,4-5,8,11,13-14H2,1H3,(H,24,26)
InChIKeyWIZHKLGBGHROPI-UHFFFAOYSA-N
XLogP3.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-[(3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-3-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
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N-(5-chloro-2-methoxyphenyl)-3-(3-hydroxypiperidin-1-yl)propanamide
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(3S)-3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(2-methoxyethyl)piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]propanamide (CID 72931584) is N-(5-chloro-2-methoxyphenyl)-3-[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]propanamide is COc1ccc(Cl)cc1NC(=O)CCC1CCCN(Cc2ncccn2)C1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]propanamide?
The InChIKey is WIZHKLGBGHROPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-27-18-7-6-16(21)12-17(18)24-20(26)8-5-15-4-2-11-25(13-15)14-19-22-9-3-10-23-19/h3,6-7,9-10,12,15H,2,4-5,8,11,13-14H2,1H3,(H,24,26).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]propanamide?
N-(5-chloro-2-methoxyphenyl)-3-[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]propanamide has a molecular weight of 388.90 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 72931584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).