[1-[(3-chlorophenyl)methyl]-6-phenylpiperidin-3-yl]-morpholin-4-ylmethanone

C23H27ClN2O2 — CID 42869813

IUPAC[1-[(3-chlorophenyl)methyl]-6-phenylpiperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCC(c2ccccc2)N(Cc2cccc(Cl)c2)C1)N1CCOCC1
InChIInChI=1S/C23H27ClN2O2/c24-21-8-4-5-18(15-21)16-26-17-20(23(27)25-11-13-28-14-12-25)9-10-22(26)19-6-2-1-3-7-19/h1-8,15,20,22H,9-14,16-17H2
InChIKeyLHGZDJJOAPBQCW-UHFFFAOYSA-N
MW398.93 g/mol
LogP4.15
Rot. Bonds4

About [1-[(3-chlorophenyl)methyl]-6-phenylpiperidin-3-yl]-morpholin-4-ylmethanone

[1-[(3-chlorophenyl)methyl]-6-phenylpiperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 42869813) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is [1-[(3-chlorophenyl)methyl]-6-phenylpiperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(3-chlorophenyl)methyl]-6-phenylpiperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID42869813
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC Name[1-[(3-chlorophenyl)methyl]-6-phenylpiperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCC(c2ccccc2)N(Cc2cccc(Cl)c2)C1)N1CCOCC1
InChIInChI=1S/C23H27ClN2O2/c24-21-8-4-5-18(15-21)16-26-17-20(23(27)25-11-13-28-14-12-25)9-10-22(26)19-6-2-1-3-7-19/h1-8,15,20,22H,9-14,16-17H2
InChIKeyLHGZDJJOAPBQCW-UHFFFAOYSA-N
XLogP4.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.93
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]-N,6-diphenylpiperidine-3-carboxamide
CID 42869809
ethyl (3R)-1-[(3R,6R)-1-[(3-chlorophenyl)methyl]-6-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate
CID 93000733
(3R,6S)-1-[(3-chlorophenyl)methyl]-6-phenyl-N-prop-2-enylpiperidine-3-carboxamide
CID 93000723
N-benzyl-5-(morpholine-4-carbonyl)-2-phenylpiperidine-1-carboxamide
CID 42849581
[1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 50807615
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78792801
[1-benzyl-6-(4-fluorophenyl)piperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 42870479
[(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(oxan-4-yl)methanone
CID 124961439
2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172900654
[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165432911
(3S,6S)-1-benzyl-N-(cyclopropylmethyl)-6-phenylpiperidine-3-carboxamide
CID 98754943
[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490514

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chlorophenyl)methyl]-6-phenylpiperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[(3-chlorophenyl)methyl]-6-phenylpiperidin-3-yl]-morpholin-4-ylmethanone (CID 42869813) is [1-[(3-chlorophenyl)methyl]-6-phenylpiperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[(3-chlorophenyl)methyl]-6-phenylpiperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[(3-chlorophenyl)methyl]-6-phenylpiperidin-3-yl]-morpholin-4-ylmethanone is O=C(C1CCC(c2ccccc2)N(Cc2cccc(Cl)c2)C1)N1CCOCC1.
What is the InChIKey of [1-[(3-chlorophenyl)methyl]-6-phenylpiperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is LHGZDJJOAPBQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c24-21-8-4-5-18(15-21)16-26-17-20(23(27)25-11-13-28-14-12-25)9-10-22(26)19-6-2-1-3-7-19/h1-8,15,20,22H,9-14,16-17H2.
What are the key properties of [1-[(3-chlorophenyl)methyl]-6-phenylpiperidin-3-yl]-morpholin-4-ylmethanone?
[1-[(3-chlorophenyl)methyl]-6-phenylpiperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 398.93 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chlorophenyl)methyl]-6-phenylpiperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42869813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).