[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

C20H26N2O2 — CID 71876645

IUPAC[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCCN(C(=O)C2(c3ccccc3)CC2)C1)N1CCCC1
InChIInChI=1S/C20H26N2O2/c23-18(21-12-4-5-13-21)16-7-6-14-22(15-16)19(24)20(10-11-20)17-8-2-1-3-9-17/h1-3,8-9,16H,4-7,10-15H2
InChIKeySBBUGCKEADSDNG-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.58
Rot. Bonds3

About [1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 71876645) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is [1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID71876645
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCCN(C(=O)C2(c3ccccc3)CC2)C1)N1CCCC1
InChIInChI=1S/C20H26N2O2/c23-18(21-12-4-5-13-21)16-7-6-14-22(15-16)19(24)20(10-11-20)17-8-2-1-3-9-17/h1-3,8-9,16H,4-7,10-15H2
InChIKeySBBUGCKEADSDNG-UHFFFAOYSA-N
XLogP2.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

morpholin-4-yl-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]methanone
CID 56807476
cyclobutyl-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 75369417
1-(4-phenyloxane-4-carbonyl)piperidine-3-carboxylic acid
CID 119128018
methyl 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylate
CID 78968034
1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 119167682
cyclohexyl-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]methanone
CID 22241011
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 66262419
(3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 63394917
(1-phenylcyclopropyl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 71929478
3-[(3R)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid
CID 124701646
1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid
CID 119167254
1-[3-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 146087913

Frequently Asked Questions

What is the IUPAC name of [1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 71876645) is [1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCCN(C(=O)C2(c3ccccc3)CC2)C1)N1CCCC1.
What is the InChIKey of [1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is SBBUGCKEADSDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-18(21-12-4-5-13-21)16-7-6-14-22(15-16)19(24)20(10-11-20)17-8-2-1-3-9-17/h1-3,8-9,16H,4-7,10-15H2.
What are the key properties of [1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 326.44 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 71876645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).