N-cyclopropyl-2-[5-methoxy-4-oxo-2-[(4-phenylpiperidin-1-yl)methyl]-1-pyridinyl]acetamide

C23H29N3O3 — CID 75489675

IUPACN-cyclopropyl-2-[5-methoxy-4-oxo-2-[(4-phenylpiperidin-1-yl)methyl]-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)NC2CC2)c(CN2CCC(c3ccccc3)CC2)cc1=O
InChIInChI=1S/C23H29N3O3/c1-29-22-15-26(16-23(28)24-19-7-8-19)20(13-21(22)27)14-25-11-9-18(10-12-25)17-5-3-2-4-6-17/h2-6,13,15,18-19H,7-12,14,16H2,1H3,(H,24,28)
InChIKeyMMWBDFUPOTZGGH-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.52
Rot. Bonds7

About N-cyclopropyl-2-[5-methoxy-4-oxo-2-[(4-phenylpiperidin-1-yl)methyl]-1-pyridinyl]acetamide

N-cyclopropyl-2-[5-methoxy-4-oxo-2-[(4-phenylpiperidin-1-yl)methyl]-1-pyridinyl]acetamide (PubChem CID 75489675) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-cyclopropyl-2-[5-methoxy-4-oxo-2-[(4-phenylpiperidin-1-yl)methyl]-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[5-methoxy-4-oxo-2-[(4-phenylpiperidin-1-yl)methyl]-1-pyridinyl]acetamide
PubChem CID75489675
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-cyclopropyl-2-[5-methoxy-4-oxo-2-[(4-phenylpiperidin-1-yl)methyl]-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)NC2CC2)c(CN2CCC(c3ccccc3)CC2)cc1=O
InChIInChI=1S/C23H29N3O3/c1-29-22-15-26(16-23(28)24-19-7-8-19)20(13-21(22)27)14-25-11-9-18(10-12-25)17-5-3-2-4-6-17/h2-6,13,15,18-19H,7-12,14,16H2,1H3,(H,24,28)
InChIKeyMMWBDFUPOTZGGH-UHFFFAOYSA-N
XLogP2.52
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetamide
CID 44826930
N-cyclopentyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 71703246
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)acetamide
CID 91639043
2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
CID 18566890
2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 27451963
2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-prop-2-enylacetamide
CID 18566961
2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 97266257
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(2-ethoxyphenyl)acetamide
CID 18566942
2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 27603366
N-cyclooctyl-2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)acetamide
CID 91639863
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
CID 18566937
2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-(4-nitrophenyl)acetamide
CID 18566955

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[5-methoxy-4-oxo-2-[(4-phenylpiperidin-1-yl)methyl]-1-pyridinyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[5-methoxy-4-oxo-2-[(4-phenylpiperidin-1-yl)methyl]-1-pyridinyl]acetamide (CID 75489675) is N-cyclopropyl-2-[5-methoxy-4-oxo-2-[(4-phenylpiperidin-1-yl)methyl]-1-pyridinyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[5-methoxy-4-oxo-2-[(4-phenylpiperidin-1-yl)methyl]-1-pyridinyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[5-methoxy-4-oxo-2-[(4-phenylpiperidin-1-yl)methyl]-1-pyridinyl]acetamide is COc1cn(CC(=O)NC2CC2)c(CN2CCC(c3ccccc3)CC2)cc1=O.
What is the InChIKey of N-cyclopropyl-2-[5-methoxy-4-oxo-2-[(4-phenylpiperidin-1-yl)methyl]-1-pyridinyl]acetamide?
The InChIKey is MMWBDFUPOTZGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-29-22-15-26(16-23(28)24-19-7-8-19)20(13-21(22)27)14-25-11-9-18(10-12-25)17-5-3-2-4-6-17/h2-6,13,15,18-19H,7-12,14,16H2,1H3,(H,24,28).
What are the key properties of N-cyclopropyl-2-[5-methoxy-4-oxo-2-[(4-phenylpiperidin-1-yl)methyl]-1-pyridinyl]acetamide?
N-cyclopropyl-2-[5-methoxy-4-oxo-2-[(4-phenylpiperidin-1-yl)methyl]-1-pyridinyl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[5-methoxy-4-oxo-2-[(4-phenylpiperidin-1-yl)methyl]-1-pyridinyl]acetamide is sourced from PubChem (CID 75489675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).