3-cyclopropyl-3-(4-methylphenyl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one

C22H30N2O3 — CID 110305895

IUPAC3-cyclopropyl-3-(4-methylphenyl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
SMILESCc1ccc(C(CC(=O)N2CCC[C@H]2C(=O)N2CCOCC2)C2CC2)cc1
InChIInChI=1S/C22H30N2O3/c1-16-4-6-17(7-5-16)19(18-8-9-18)15-21(25)24-10-2-3-20(24)22(26)23-11-13-27-14-12-23/h4-7,18-20H,2-3,8-15H2,1H3/t19?,20-/m0/s1
InChIKeyVERTUFGVKVWDCT-ANYOKISRSA-N
MW370.49 g/mol
LogP2.73
Rot. Bonds5

About 3-cyclopropyl-3-(4-methylphenyl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one

3-cyclopropyl-3-(4-methylphenyl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 110305895) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-methylphenyl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-methylphenyl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
PubChem CID110305895
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name3-cyclopropyl-3-(4-methylphenyl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
SMILESCc1ccc(C(CC(=O)N2CCC[C@H]2C(=O)N2CCOCC2)C2CC2)cc1
InChIInChI=1S/C22H30N2O3/c1-16-4-6-17(7-5-16)19(18-8-9-18)15-21(25)24-10-2-3-20(24)22(26)23-11-13-27-14-12-23/h4-7,18-20H,2-3,8-15H2,1H3/t19?,20-/m0/s1
InChIKeyVERTUFGVKVWDCT-ANYOKISRSA-N
XLogP2.73
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-3-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110425924
3-cyclopropyl-3-(4-methoxyphenyl)-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 110305833
1-(4-methylphenyl)-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butane-1,4-dione
CID 110305871
3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 110285986
(1R,5R)-1,5-dicyclopentyl-1,5-bis(4-methylphenyl)pentan-3-one
CID 97304287
7-methyl-3-[3-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
CID 110424937
1-(4-chlorophenyl)-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butane-1,4-dione
CID 110305907
1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-2-carboxamide
CID 55900196
3-(4-methoxyphenyl)-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 110305830
3-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110416521
2-(5-methyl-1,2-oxazol-3-yl)-1-[2-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 136525724
2-bromo-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 114328107

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-methylphenyl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopropyl-3-(4-methylphenyl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one (CID 110305895) is 3-cyclopropyl-3-(4-methylphenyl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopropyl-3-(4-methylphenyl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopropyl-3-(4-methylphenyl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one is Cc1ccc(C(CC(=O)N2CCC[C@H]2C(=O)N2CCOCC2)C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-3-(4-methylphenyl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is VERTUFGVKVWDCT-ANYOKISRSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-16-4-6-17(7-5-16)19(18-8-9-18)15-21(25)24-10-2-3-20(24)22(26)23-11-13-27-14-12-23/h4-7,18-20H,2-3,8-15H2,1H3/t19?,20-/m0/s1.
What are the key properties of 3-cyclopropyl-3-(4-methylphenyl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one?
3-cyclopropyl-3-(4-methylphenyl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 370.49 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(4-methylphenyl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110305895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).