(4-hydroxycyclohexyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone

C24H36N2O2 — CID 42287691

IUPAC(4-hydroxycyclohexyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCC(O)CC1)N1CCC([C@@H]2CCN(CCc3ccccc3)C2)CC1
InChIInChI=1S/C24H36N2O2/c27-23-8-6-21(7-9-23)24(28)26-16-12-20(13-17-26)22-11-15-25(18-22)14-10-19-4-2-1-3-5-19/h1-5,20-23,27H,6-18H2/t21?,22-,23?/m1/s1
InChIKeyOBAUUKNVHVFOCX-OOMBGRCJSA-N
MW384.56 g/mol
LogP3.34
Rot. Bonds5

About (4-hydroxycyclohexyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone

(4-hydroxycyclohexyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone (PubChem CID 42287691) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is (4-hydroxycyclohexyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxycyclohexyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
PubChem CID42287691
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name(4-hydroxycyclohexyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCC(O)CC1)N1CCC([C@@H]2CCN(CCc3ccccc3)C2)CC1
InChIInChI=1S/C24H36N2O2/c27-23-8-6-21(7-9-23)24(28)26-16-12-20(13-17-26)22-11-15-25(18-22)14-10-19-4-2-1-3-5-19/h1-5,20-23,27H,6-18H2/t21?,22-,23?/m1/s1
InChIKeyOBAUUKNVHVFOCX-OOMBGRCJSA-N
XLogP3.34
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-hydroxycyclohexyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95554424
furan-3-yl-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
CID 45238952
(3-methylfuran-2-yl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
CID 26316106
(3-methylfuran-2-yl)-[4-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
CID 26316109
N-cyclopropyl-2-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]acetamide
CID 56893950
[(2R,3aS,7aR)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 97366906
(3-methyl-2-pyridinyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
CID 42244536
cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 86914488
[(3R)-3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 42304355
[(4aR,8aS)-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-cyclohexylmethanone
CID 56855222
N,N-dimethyl-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide
CID 45245585
[(2S,3aS,7aS)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 127021474

Frequently Asked Questions

What is the IUPAC name of (4-hydroxycyclohexyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-hydroxycyclohexyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone (CID 42287691) is (4-hydroxycyclohexyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-hydroxycyclohexyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-hydroxycyclohexyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone is O=C(C1CCC(O)CC1)N1CCC([C@@H]2CCN(CCc3ccccc3)C2)CC1.
What is the InChIKey of (4-hydroxycyclohexyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone?
The InChIKey is OBAUUKNVHVFOCX-OOMBGRCJSA-N. The full InChI is InChI=1S/C24H36N2O2/c27-23-8-6-21(7-9-23)24(28)26-16-12-20(13-17-26)22-11-15-25(18-22)14-10-19-4-2-1-3-5-19/h1-5,20-23,27H,6-18H2/t21?,22-,23?/m1/s1.
What are the key properties of (4-hydroxycyclohexyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone?
(4-hydroxycyclohexyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone has a molecular weight of 384.56 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxycyclohexyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 42287691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).