(4R)-4-(4-methylpiperidine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one

C20H28N2O3 — CID 40979119

IUPAC(4R)-4-(4-methylpiperidine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
SMILESCC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)CC1
InChIInChI=1S/C20H28N2O3/c1-14(2)25-18-6-4-17(5-7-18)22-13-16(12-19(22)23)20(24)21-10-8-15(3)9-11-21/h4-7,14-16H,8-13H2,1-3H3/t16-/m1/s1
InChIKeyHDEZGRMIAHYWCH-MRXNPFEDSA-N
MW344.45 g/mol
LogP3.09
Rot. Bonds4

About (4R)-4-(4-methylpiperidine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one

(4R)-4-(4-methylpiperidine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one (PubChem CID 40979119) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is (4R)-4-(4-methylpiperidine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(4-methylpiperidine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
PubChem CID40979119
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name(4R)-4-(4-methylpiperidine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
SMILESCC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)CC1
InChIInChI=1S/C20H28N2O3/c1-14(2)25-18-6-4-17(5-7-18)22-13-16(12-19(22)23)20(24)21-10-8-15(3)9-11-21/h4-7,14-16H,8-13H2,1-3H3/t16-/m1/s1
InChIKeyHDEZGRMIAHYWCH-MRXNPFEDSA-N
XLogP3.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylpiperidine-1-carbonyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidin-2-one
CID 113189924
(4S)-4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 125173686
4-(4-methylpiperidine-1-carbonyl)-1-(4-phenylmethoxyphenyl)pyrrolidin-2-one
CID 113190122
methyl 5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
CID 10084873
1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 42534317
N-cyclopentyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 18525226
1-(4-methoxyphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119563790
4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 110023693
4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-ethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119518509
1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6494501
1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 17081750
(4S)-1-(4-methoxyphenyl)-4-[4-(3-methylbut-2-enoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 29134485

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-methylpiperidine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(4-methylpiperidine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one (CID 40979119) is (4R)-4-(4-methylpiperidine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(4-methylpiperidine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(4-methylpiperidine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one is CC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)CC1.
What is the InChIKey of (4R)-4-(4-methylpiperidine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
The InChIKey is HDEZGRMIAHYWCH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14(2)25-18-6-4-17(5-7-18)22-13-16(12-19(22)23)20(24)21-10-8-15(3)9-11-21/h4-7,14-16H,8-13H2,1-3H3/t16-/m1/s1.
What are the key properties of (4R)-4-(4-methylpiperidine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
(4R)-4-(4-methylpiperidine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one has a molecular weight of 344.45 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-methylpiperidine-1-carbonyl)-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 40979119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).