cyclopropyl-[(3R,4R)-3-hydroxy-4-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]methanone

C18H25N3O2 — CID 110108718

IUPACcyclopropyl-[(3R,4R)-3-hydroxy-4-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1C[C@@H](O)[C@H](N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C18H25N3O2/c22-17-13-21(18(23)14-6-7-14)12-16(17)20-10-8-19(9-11-20)15-4-2-1-3-5-15/h1-5,14,16-17,22H,6-13H2/t16-,17-/m1/s1
InChIKeyXGLQSKABNFBQBG-IAGOWNOFSA-N
MW315.42 g/mol
LogP0.79
Rot. Bonds3

About cyclopropyl-[(3R,4R)-3-hydroxy-4-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]methanone

cyclopropyl-[(3R,4R)-3-hydroxy-4-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]methanone (PubChem CID 110108718) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is cyclopropyl-[(3R,4R)-3-hydroxy-4-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3R,4R)-3-hydroxy-4-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]methanone
PubChem CID110108718
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Namecyclopropyl-[(3R,4R)-3-hydroxy-4-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1C[C@@H](O)[C@H](N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C18H25N3O2/c22-17-13-21(18(23)14-6-7-14)12-16(17)20-10-8-19(9-11-20)15-4-2-1-3-5-15/h1-5,14,16-17,22H,6-13H2/t16-,17-/m1/s1
InChIKeyXGLQSKABNFBQBG-IAGOWNOFSA-N
XLogP0.79
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
cyclopropyl-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]piperazin-1-yl]methanone
CID 141336827
[(3S,4S)-3-hydroxy-4-(4-phenyl-1,4-diazepan-1-yl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 45235456
ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 171069680
2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 112532321
cyclopropyl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125462234
[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 96588049
methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110754124
cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113079016
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-methyl-N-phenylbenzamide
CID 110417503
1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686098

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3R,4R)-3-hydroxy-4-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3R,4R)-3-hydroxy-4-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]methanone (CID 110108718) is cyclopropyl-[(3R,4R)-3-hydroxy-4-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3R,4R)-3-hydroxy-4-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3R,4R)-3-hydroxy-4-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]methanone is O=C(C1CC1)N1C[C@@H](O)[C@H](N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of cyclopropyl-[(3R,4R)-3-hydroxy-4-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]methanone?
The InChIKey is XGLQSKABNFBQBG-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17-13-21(18(23)14-6-7-14)12-16(17)20-10-8-19(9-11-20)15-4-2-1-3-5-15/h1-5,14,16-17,22H,6-13H2/t16-,17-/m1/s1.
What are the key properties of cyclopropyl-[(3R,4R)-3-hydroxy-4-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]methanone?
cyclopropyl-[(3R,4R)-3-hydroxy-4-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]methanone has a molecular weight of 315.42 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3R,4R)-3-hydroxy-4-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110108718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).