3-cyclopropyl-3-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one

C23H32N2O3 — CID 110425924

IUPAC3-cyclopropyl-3-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
SMILESCc1ccc(C(CC(=O)N2CCC(C(=O)N3CCOCC3)CC2)C2CC2)cc1
InChIInChI=1S/C23H32N2O3/c1-17-2-4-18(5-3-17)21(19-6-7-19)16-22(26)24-10-8-20(9-11-24)23(27)25-12-14-28-15-13-25/h2-5,19-21H,6-16H2,1H3
InChIKeyPTJUBWHUUOPPFT-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.98
Rot. Bonds5

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

3-cyclopropyl-3-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one (PubChem CID 110425924) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
PubChem CID110425924
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name3-cyclopropyl-3-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
SMILESCc1ccc(C(CC(=O)N2CCC(C(=O)N3CCOCC3)CC2)C2CC2)cc1
InChIInChI=1S/C23H32N2O3/c1-17-2-4-18(5-3-17)21(19-6-7-19)16-22(26)24-10-8-20(9-11-24)23(27)25-12-14-28-15-13-25/h2-5,19-21H,6-16H2,1H3
InChIKeyPTJUBWHUUOPPFT-UHFFFAOYSA-N
XLogP2.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-3-(4-methylphenyl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 110305895
2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 120666722
4-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpentan-1-one
CID 110620002
1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110604424
1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxamide
CID 110673883
3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 110304874
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 38491702
morpholin-4-yl-[1-(4-propan-2-ylphenyl)piperidin-4-yl]methanone
CID 166901168
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one;hydrochloride
CID 119517112
(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one
CID 6546229
[1-(2-hydroxy-4-propan-2-ylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 47051901
3,4-dimethyl-N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 38491208

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopropyl-3-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one (CID 110425924) is 3-cyclopropyl-3-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopropyl-3-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopropyl-3-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one is Cc1ccc(C(CC(=O)N2CCC(C(=O)N3CCOCC3)CC2)C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-3-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one?
The InChIKey is PTJUBWHUUOPPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-17-2-4-18(5-3-17)21(19-6-7-19)16-22(26)24-10-8-20(9-11-24)23(27)25-12-14-28-15-13-25/h2-5,19-21H,6-16H2,1H3.
What are the key properties of 3-cyclopropyl-3-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one?
3-cyclopropyl-3-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one has a molecular weight of 384.52 g/mol, XLogP of 2.98, 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-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110425924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).