(5S)-1-[(3-methoxyphenyl)methyl]-5-(4-pyridin-3-yloxypiperidine-1-carbonyl)piperidin-2-one

C24H29N3O4 — CID 42532806

IUPAC(5S)-1-[(3-methoxyphenyl)methyl]-5-(4-pyridin-3-yloxypiperidine-1-carbonyl)piperidin-2-one
SMILESCOc1cccc(CN2C[C@@H](C(=O)N3CCC(Oc4cccnc4)CC3)CCC2=O)c1
InChIInChI=1S/C24H29N3O4/c1-30-21-5-2-4-18(14-21)16-27-17-19(7-8-23(27)28)24(29)26-12-9-20(10-13-26)31-22-6-3-11-25-15-22/h2-6,11,14-15,19-20H,7-10,12-13,16-17H2,1H3/t19-/m0/s1
InChIKeyJLZTXRXHDYRHGV-IBGZPJMESA-N
MW423.51 g/mol
LogP2.90
Rot. Bonds6

About (5S)-1-[(3-methoxyphenyl)methyl]-5-(4-pyridin-3-yloxypiperidine-1-carbonyl)piperidin-2-one

(5S)-1-[(3-methoxyphenyl)methyl]-5-(4-pyridin-3-yloxypiperidine-1-carbonyl)piperidin-2-one (PubChem CID 42532806) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is (5S)-1-[(3-methoxyphenyl)methyl]-5-(4-pyridin-3-yloxypiperidine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name(5S)-1-[(3-methoxyphenyl)methyl]-5-(4-pyridin-3-yloxypiperidine-1-carbonyl)piperidin-2-one
PubChem CID42532806
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name(5S)-1-[(3-methoxyphenyl)methyl]-5-(4-pyridin-3-yloxypiperidine-1-carbonyl)piperidin-2-one
SMILESCOc1cccc(CN2C[C@@H](C(=O)N3CCC(Oc4cccnc4)CC3)CCC2=O)c1
InChIInChI=1S/C24H29N3O4/c1-30-21-5-2-4-18(14-21)16-27-17-19(7-8-23(27)28)24(29)26-12-9-20(10-13-26)31-22-6-3-11-25-15-22/h2-6,11,14-15,19-20H,7-10,12-13,16-17H2,1H3/t19-/m0/s1
InChIKeyJLZTXRXHDYRHGV-IBGZPJMESA-N
XLogP2.90
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S)-1-[(3-methoxyphenyl)methyl]-5-(4-pyridin-3-yloxypiperidine-1-carbonyl)piperidin-2-one with MolForge

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Related Compounds

5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 24790814
4-[(3S)-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 29022609
4-[1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 45241287
4-[(3R)-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 29022610
1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
CID 45192902
1-[(3-methoxyphenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one
CID 45222993
(4R)-4-(4-ethylpiperazine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 93017942
(3S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146852
(5R)-1-cyclopentyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-2-one
CID 29152851
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45187533
(4R)-1-[(3-methoxyphenyl)methyl]-4-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 93017912
(5S)-1-[(2-methoxyphenyl)methyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one
CID 42195316

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[(3-methoxyphenyl)methyl]-5-(4-pyridin-3-yloxypiperidine-1-carbonyl)piperidin-2-one?
The IUPAC name of (5S)-1-[(3-methoxyphenyl)methyl]-5-(4-pyridin-3-yloxypiperidine-1-carbonyl)piperidin-2-one (CID 42532806) is (5S)-1-[(3-methoxyphenyl)methyl]-5-(4-pyridin-3-yloxypiperidine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for (5S)-1-[(3-methoxyphenyl)methyl]-5-(4-pyridin-3-yloxypiperidine-1-carbonyl)piperidin-2-one?
The canonical SMILES for (5S)-1-[(3-methoxyphenyl)methyl]-5-(4-pyridin-3-yloxypiperidine-1-carbonyl)piperidin-2-one is COc1cccc(CN2C[C@@H](C(=O)N3CCC(Oc4cccnc4)CC3)CCC2=O)c1.
What is the InChIKey of (5S)-1-[(3-methoxyphenyl)methyl]-5-(4-pyridin-3-yloxypiperidine-1-carbonyl)piperidin-2-one?
The InChIKey is JLZTXRXHDYRHGV-IBGZPJMESA-N. The full InChI is InChI=1S/C24H29N3O4/c1-30-21-5-2-4-18(14-21)16-27-17-19(7-8-23(27)28)24(29)26-12-9-20(10-13-26)31-22-6-3-11-25-15-22/h2-6,11,14-15,19-20H,7-10,12-13,16-17H2,1H3/t19-/m0/s1.
What are the key properties of (5S)-1-[(3-methoxyphenyl)methyl]-5-(4-pyridin-3-yloxypiperidine-1-carbonyl)piperidin-2-one?
(5S)-1-[(3-methoxyphenyl)methyl]-5-(4-pyridin-3-yloxypiperidine-1-carbonyl)piperidin-2-one has a molecular weight of 423.51 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[(3-methoxyphenyl)methyl]-5-(4-pyridin-3-yloxypiperidine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 42532806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).