(5S)-5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylethyl)piperidin-2-one

C25H35N3O4 — CID 29087489

IUPAC(5S)-5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylethyl)piperidin-2-one
SMILESCC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CCC(=O)N(CCN3CCOCC3)C2)CC1
InChIInChI=1S/C25H35N3O4/c1-20(29)25(22-5-3-2-4-6-22)9-11-27(12-10-25)24(31)21-7-8-23(30)28(19-21)14-13-26-15-17-32-18-16-26/h2-6,21H,7-19H2,1H3/t21-/m0/s1
InChIKeyASGWNUGKGRMHBG-NRFANRHFSA-N
MW441.57 g/mol
LogP1.71
Rot. Bonds6

About (5S)-5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylethyl)piperidin-2-one

(5S)-5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylethyl)piperidin-2-one (PubChem CID 29087489) has the molecular formula C25H35N3O4 and a molecular weight of 441.57 g/mol. Its IUPAC name is (5S)-5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylethyl)piperidin-2-one.

Molecular Properties

Compound Name(5S)-5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylethyl)piperidin-2-one
PubChem CID29087489
Molecular FormulaC25H35N3O4
Molecular Weight441.57 g/mol
Exact Mass441.26
IUPAC Name(5S)-5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylethyl)piperidin-2-one
SMILESCC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CCC(=O)N(CCN3CCOCC3)C2)CC1
InChIInChI=1S/C25H35N3O4/c1-20(29)25(22-5-3-2-4-6-22)9-11-27(12-10-25)24(31)21-7-8-23(30)28(19-21)14-13-26-15-17-32-18-16-26/h2-6,21H,7-19H2,1H3/t21-/m0/s1
InChIKeyASGWNUGKGRMHBG-NRFANRHFSA-N
XLogP1.71
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1-(2-morpholin-4-ylethyl)piperidin-2-one
CID 45219929
(3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]piperidine-3-carboxamide
CID 95195230
(5R)-1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one
CID 97136809
ethyl 4-[(3S)-6-oxo-1-(2-phenylethyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 42380861
N-[[1-(1-ethyl-6-oxopiperidine-3-carbonyl)-4-phenylpiperidin-4-yl]methyl]prop-2-enamide
CID 154875467
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 113182980
N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 45237275
(5S)-1-(2-phenylethyl)-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]piperidin-2-one
CID 25295167
1-(2-methoxyethyl)-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidin-2-one
CID 165422259
morpholin-4-yl-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]methanone
CID 56807476
4-[(3S)-6-oxo-1-(2-phenylethyl)piperidine-3-carbonyl]-1,4-diazepane-1-carbaldehyde
CID 25295339
N-(2-morpholin-4-ylethyl)-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 23600948

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylethyl)piperidin-2-one?
The IUPAC name of (5S)-5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylethyl)piperidin-2-one (CID 29087489) is (5S)-5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylethyl)piperidin-2-one.
What is the SMILES notation for (5S)-5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylethyl)piperidin-2-one?
The canonical SMILES for (5S)-5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylethyl)piperidin-2-one is CC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CCC(=O)N(CCN3CCOCC3)C2)CC1.
What is the InChIKey of (5S)-5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylethyl)piperidin-2-one?
The InChIKey is ASGWNUGKGRMHBG-NRFANRHFSA-N. The full InChI is InChI=1S/C25H35N3O4/c1-20(29)25(22-5-3-2-4-6-22)9-11-27(12-10-25)24(31)21-7-8-23(30)28(19-21)14-13-26-15-17-32-18-16-26/h2-6,21H,7-19H2,1H3/t21-/m0/s1.
What are the key properties of (5S)-5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylethyl)piperidin-2-one?
(5S)-5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylethyl)piperidin-2-one has a molecular weight of 441.57 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylethyl)piperidin-2-one is sourced from PubChem (CID 29087489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).