(3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone

C19H25ClN2O2 — CID 138382466

IUPAC(3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(N2CCCC2)c(Cl)c1)N1CCCC(C2(O)CC2)C1
InChIInChI=1S/C19H25ClN2O2/c20-16-12-14(5-6-17(16)21-9-1-2-10-21)18(23)22-11-3-4-15(13-22)19(24)7-8-19/h5-6,12,15,24H,1-4,7-11,13H2
InChIKeyVHQLETDPISSRNY-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.32
Rot. Bonds3

About (3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone

(3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone (PubChem CID 138382466) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is (3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone
PubChem CID138382466
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name(3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(N2CCCC2)c(Cl)c1)N1CCCC(C2(O)CC2)C1
InChIInChI=1S/C19H25ClN2O2/c20-16-12-14(5-6-17(16)21-9-1-2-10-21)18(23)22-11-3-4-15(13-22)19(24)7-8-19/h5-6,12,15,24H,1-4,7-11,13H2
InChIKeyVHQLETDPISSRNY-UHFFFAOYSA-N
XLogP3.32
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72877246
(3-chloro-4-pyrrolidin-1-ylphenyl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone
CID 135091372
4-[3-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 138383179
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
2,3-dihydro-1H-inden-2-yl-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone
CID 138381348
4-(azocan-1-yl)-3-chlorobenzoic acid
CID 63088316
3-chloro-4-piperidin-1-ylbenzoic acid
CID 18956231
3-fluoro-5-[3-(1-hydroxycyclopropyl)piperidine-1-carbonyl]benzonitrile
CID 138382352
(3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 18105294
[(4aR,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(4-bromophenyl)methanone
CID 7012089
(3-chloro-4-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224293
(3-chloro-4-pyrrolidin-1-ylphenyl)-[(3R,4S)-4-(dimethylamino)-3-(3-hydroxypropyl)piperidin-1-yl]methanone
CID 72917623

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone?
The IUPAC name of (3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone (CID 138382466) is (3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone is O=C(c1ccc(N2CCCC2)c(Cl)c1)N1CCCC(C2(O)CC2)C1.
What is the InChIKey of (3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone?
The InChIKey is VHQLETDPISSRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c20-16-12-14(5-6-17(16)21-9-1-2-10-21)18(23)22-11-3-4-15(13-22)19(24)7-8-19/h5-6,12,15,24H,1-4,7-11,13H2.
What are the key properties of (3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone?
(3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone has a molecular weight of 348.87 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 138382466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).