[2-[2-(4-chlorophenyl)morpholin-4-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone

C20H22ClN3O2 — CID 56881014

IUPAC[2-[2-(4-chlorophenyl)morpholin-4-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnc(N2CCOC(c3ccc(Cl)cc3)C2)c1)N1CCCC1
InChIInChI=1S/C20H22ClN3O2/c21-17-5-3-15(4-6-17)18-14-24(11-12-26-18)19-13-16(7-8-22-19)20(25)23-9-1-2-10-23/h3-8,13,18H,1-2,9-12,14H2
InChIKeySLDBOZBCUAPKSV-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.55
Rot. Bonds3

About [2-[2-(4-chlorophenyl)morpholin-4-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone

[2-[2-(4-chlorophenyl)morpholin-4-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 56881014) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is [2-[2-(4-chlorophenyl)morpholin-4-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[2-(4-chlorophenyl)morpholin-4-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID56881014
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name[2-[2-(4-chlorophenyl)morpholin-4-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnc(N2CCOC(c3ccc(Cl)cc3)C2)c1)N1CCCC1
InChIInChI=1S/C20H22ClN3O2/c21-17-5-3-15(4-6-17)18-14-24(11-12-26-18)19-13-16(7-8-22-19)20(25)23-9-1-2-10-23/h3-8,13,18H,1-2,9-12,14H2
InChIKeySLDBOZBCUAPKSV-UHFFFAOYSA-N
XLogP3.55
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-chloro-4-pyridinyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-methylpyrimidin-4-one
CID 57877690
2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl 4-chlorobenzenecarboxylate
CID 4272025
2-(Benzyloxy)-1-(4-(4-chloropyridin-2-yl)piperazin-1-yl)ethanone
CID 52943881
[3-[(4-Chlorophenyl)-[2-(dimethylamino)-3-pyridinyl]methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
CID 57400378
4-{[3-(4-chloro-2-ethoxyphenyl)piperidin-1-yl]carbonyl}-N,N-dimethylpyridin-2-amine
CID 117858607
Piperazine, 1-(2-(alpha-(p-chlorophenyl)benzyloxy)ethyl)-4-(2-pyridyl)-, maleate
CID 6436568
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-cyclopropylpyridine-4-carboxamide
CID 56865554
2-[2-(4-chlorophenyl)morpholin-4-yl]-N,N-dimethylnicotinamide
CID 56869037
N-cyclopropyl-2-[2-(3,4-dichlorophenyl)morpholin-4-yl]isonicotinamide
CID 56871619
2-(4-Chlorophenyl)-4-[3-(pyrrolidin-1-ylcarbonyl)pyridin-2-yl]morpholine
CID 56878296
2-(4-Fluorophenyl)-4-[3-(pyrrolidin-1-ylcarbonyl)pyridin-2-yl]morpholine
CID 56879688
(2-Phenylmorpholin-4-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 60398417

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorophenyl)morpholin-4-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[2-(4-chlorophenyl)morpholin-4-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone (CID 56881014) is [2-[2-(4-chlorophenyl)morpholin-4-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[2-(4-chlorophenyl)morpholin-4-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[2-(4-chlorophenyl)morpholin-4-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1ccnc(N2CCOC(c3ccc(Cl)cc3)C2)c1)N1CCCC1.
What is the InChIKey of [2-[2-(4-chlorophenyl)morpholin-4-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is SLDBOZBCUAPKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-17-5-3-15(4-6-17)18-14-24(11-12-26-18)19-13-16(7-8-22-19)20(25)23-9-1-2-10-23/h3-8,13,18H,1-2,9-12,14H2.
What are the key properties of [2-[2-(4-chlorophenyl)morpholin-4-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-[2-(4-chlorophenyl)morpholin-4-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 371.87 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorophenyl)morpholin-4-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56881014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).