(4-phenylmethoxypiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone

C23H24N2O2 — CID 55460591

IUPAC(4-phenylmethoxypiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1cccc(-n2cccc2)c1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C23H24N2O2/c26-23(20-9-6-10-21(17-20)24-13-4-5-14-24)25-15-11-22(12-16-25)27-18-19-7-2-1-3-8-19/h1-10,13-14,17,22H,11-12,15-16,18H2
InChIKeyLSEUDOBHFFLAMG-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.30
Rot. Bonds5

About (4-phenylmethoxypiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone

(4-phenylmethoxypiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone (PubChem CID 55460591) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is (4-phenylmethoxypiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(4-phenylmethoxypiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
PubChem CID55460591
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name(4-phenylmethoxypiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1cccc(-n2cccc2)c1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C23H24N2O2/c26-23(20-9-6-10-21(17-20)24-13-4-5-14-24)25-15-11-22(12-16-25)27-18-19-7-2-1-3-8-19/h1-10,13-14,17,22H,11-12,15-16,18H2
InChIKeyLSEUDOBHFFLAMG-UHFFFAOYSA-N
XLogP4.30
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 51278700
(4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 17462290
[4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
CID 119275315
(4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 119697040
1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
CID 39314575
ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate
CID 35512692
1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63031103
N-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 55633340
(4-nitrophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 12806999
[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 41485264
(2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 55460870
4-[4-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]benzamide
CID 56545792

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxypiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone?
The IUPAC name of (4-phenylmethoxypiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone (CID 55460591) is (4-phenylmethoxypiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for (4-phenylmethoxypiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for (4-phenylmethoxypiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone is O=C(c1cccc(-n2cccc2)c1)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of (4-phenylmethoxypiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone?
The InChIKey is LSEUDOBHFFLAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-23(20-9-6-10-21(17-20)24-13-4-5-14-24)25-15-11-22(12-16-25)27-18-19-7-2-1-3-8-19/h1-10,13-14,17,22H,11-12,15-16,18H2.
What are the key properties of (4-phenylmethoxypiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone?
(4-phenylmethoxypiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone has a molecular weight of 360.46 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxypiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 55460591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).