[4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone

C24H27ClN2O3 — CID 53150363

IUPAC[4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(OCC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1)N1CCCC1
InChIInChI=1S/C24H27ClN2O3/c25-21-5-3-4-20(16-21)24(29)27-14-10-18(11-15-27)17-30-22-8-6-19(7-9-22)23(28)26-12-1-2-13-26/h3-9,16,18H,1-2,10-15,17H2
InChIKeyAJQDEXZSMFLJBQ-UHFFFAOYSA-N
MW426.94 g/mol
LogP4.51
Rot. Bonds5

About [4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone

[4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 53150363) has the molecular formula C24H27ClN2O3 and a molecular weight of 426.94 g/mol. Its IUPAC name is [4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID53150363
Molecular FormulaC24H27ClN2O3
Molecular Weight426.94 g/mol
Exact Mass426.17
IUPAC Name[4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(OCC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1)N1CCCC1
InChIInChI=1S/C24H27ClN2O3/c25-21-5-3-4-20(16-21)24(29)27-14-10-18(11-15-27)17-30-22-8-6-19(7-9-22)23(28)26-12-1-2-13-26/h3-9,16,18H,1-2,10-15,17H2
InChIKeyAJQDEXZSMFLJBQ-UHFFFAOYSA-N
XLogP4.51
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.94
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[(3R)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
CID 95097466
[4-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 53150391
[3-[[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
CID 92900752
(3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 110869857
cyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 53150344
[3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone
CID 126671401
(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550
[1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 113003036
(3-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 142181487
2-(4-fluorophenoxy)-1-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150393
(3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551547
(4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119376325

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone (CID 53150363) is [4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(OCC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1)N1CCCC1.
What is the InChIKey of [4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is AJQDEXZSMFLJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O3/c25-21-5-3-4-20(16-21)24(29)27-14-10-18(11-15-27)17-30-22-8-6-19(7-9-22)23(28)26-12-1-2-13-26/h3-9,16,18H,1-2,10-15,17H2.
What are the key properties of [4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
[4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 426.94 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53150363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).