1-[1-[4-(3-chlorophenoxy)benzoyl]piperidin-4-yl]pyrrolidine-2-carboxamide

C23H26ClN3O3 — CID 86882609

IUPAC1-[1-[4-(3-chlorophenoxy)benzoyl]piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)CC1
InChIInChI=1S/C23H26ClN3O3/c24-17-3-1-4-20(15-17)30-19-8-6-16(7-9-19)23(29)26-13-10-18(11-14-26)27-12-2-5-21(27)22(25)28/h1,3-4,6-9,15,18,21H,2,5,10-14H2,(H2,25,28)
InChIKeyVVIKUCBMYDKOJI-UHFFFAOYSA-N
MW427.93 g/mol
LogP3.69
Rot. Bonds5

About 1-[1-[4-(3-chlorophenoxy)benzoyl]piperidin-4-yl]pyrrolidine-2-carboxamide

1-[1-[4-(3-chlorophenoxy)benzoyl]piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 86882609) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is 1-[1-[4-(3-chlorophenoxy)benzoyl]piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[1-[4-(3-chlorophenoxy)benzoyl]piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID86882609
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name1-[1-[4-(3-chlorophenoxy)benzoyl]piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)CC1
InChIInChI=1S/C23H26ClN3O3/c24-17-3-1-4-20(15-17)30-19-8-6-16(7-9-19)23(29)26-13-10-18(11-14-26)27-12-2-5-21(27)22(25)28/h1,3-4,6-9,15,18,21H,2,5,10-14H2,(H2,25,28)
InChIKeyVVIKUCBMYDKOJI-UHFFFAOYSA-N
XLogP3.69
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[1-(4-phenylmethoxybenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 52500753
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(3-chlorophenoxy)phenyl]methanone
CID 124612110
1-[1-(4-ethylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 51101239
(2R)-1-[1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 94822612
1-[1-(2-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 51101219
1-(4-phenoxybenzoyl)piperidine-3-carboxamide
CID 18159127
(4-aminopiperidin-1-yl)-[4-(3,4-difluorophenoxy)phenyl]methanone;hydrochloride
CID 119374818
(2R)-1-[1-(2-ethoxypyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 95149907
(2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide
CID 46986685
(2S)-1-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 95765435
[4-(3-chloro-4-fluorophenoxy)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 68811316
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(3-chlorophenoxy)benzoyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[1-[4-(3-chlorophenoxy)benzoyl]piperidin-4-yl]pyrrolidine-2-carboxamide (CID 86882609) is 1-[1-[4-(3-chlorophenoxy)benzoyl]piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[1-[4-(3-chlorophenoxy)benzoyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[1-[4-(3-chlorophenoxy)benzoyl]piperidin-4-yl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)CC1.
What is the InChIKey of 1-[1-[4-(3-chlorophenoxy)benzoyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is VVIKUCBMYDKOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c24-17-3-1-4-20(15-17)30-19-8-6-16(7-9-19)23(29)26-13-10-18(11-14-26)27-12-2-5-21(27)22(25)28/h1,3-4,6-9,15,18,21H,2,5,10-14H2,(H2,25,28).
What are the key properties of 1-[1-[4-(3-chlorophenoxy)benzoyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
1-[1-[4-(3-chlorophenoxy)benzoyl]piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 427.93 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(3-chlorophenoxy)benzoyl]piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 86882609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).