(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidine-3-carboxamide

C24H27N3O5 — CID 42459003

IUPAC(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidine-3-carboxamide
SMILESCOc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)CN4CCOC4=O)C3)cc2)c1
InChIInChI=1S/C24H27N3O5/c1-31-21-6-2-4-18(14-21)17-7-9-20(10-8-17)25-23(29)19-5-3-11-26(15-19)22(28)16-27-12-13-32-24(27)30/h2,4,6-10,14,19H,3,5,11-13,15-16H2,1H3,(H,25,29)/t19-/m0/s1
InChIKeyGIJVVKBQKJIHCY-IBGZPJMESA-N
MW437.50 g/mol
LogP2.99
Rot. Bonds6

About (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidine-3-carboxamide

(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidine-3-carboxamide (PubChem CID 42459003) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidine-3-carboxamide
PubChem CID42459003
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Name(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidine-3-carboxamide
SMILESCOc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)CN4CCOC4=O)C3)cc2)c1
InChIInChI=1S/C24H27N3O5/c1-31-21-6-2-4-18(14-21)17-7-9-20(10-8-17)25-23(29)19-5-3-11-26(15-19)22(28)16-27-12-13-32-24(27)30/h2,4,6-10,14,19H,3,5,11-13,15-16H2,1H3,(H,25,29)/t19-/m0/s1
InChIKeyGIJVVKBQKJIHCY-IBGZPJMESA-N
XLogP2.99
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide
CID 45207506
(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-methylbutanoyl)piperidine-3-carboxamide
CID 25379326
methyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 72901973
(3R)-N-[4-(3-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide
CID 26397760
3-[2-[3-(4-methoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 24793036
(3S)-1-N-[4-(3-methoxyphenyl)phenyl]piperidine-1,3-dicarboxamide
CID 97274473
methyl 4-[(3S)-3-[[4-(3-fluorophenyl)phenyl]carbamoyl]piperidin-1-yl]-4-oxobutanoate
CID 26327809
1-(furan-2-ylmethyl)-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 24790060
N-[3-(4-fluorophenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide
CID 45195638
(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 25482833
(3R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 26871829
(3R)-N-[3-(4-fluorophenyl)phenyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 42595616

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidine-3-carboxamide (CID 42459003) is (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidine-3-carboxamide is COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)CN4CCOC4=O)C3)cc2)c1.
What is the InChIKey of (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is GIJVVKBQKJIHCY-IBGZPJMESA-N. The full InChI is InChI=1S/C24H27N3O5/c1-31-21-6-2-4-18(14-21)17-7-9-20(10-8-17)25-23(29)19-5-3-11-26(15-19)22(28)16-27-12-13-32-24(27)30/h2,4,6-10,14,19H,3,5,11-13,15-16H2,1H3,(H,25,29)/t19-/m0/s1.
What are the key properties of (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidine-3-carboxamide?
(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 42459003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).