[2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-cyclopropylmethanone

C20H28N2O — CID 51097802

IUPAC[2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCCC1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H28N2O/c23-20(18-8-9-18)22-12-4-7-19(22)17-10-13-21(14-11-17)15-16-5-2-1-3-6-16/h1-3,5-6,17-19H,4,7-15H2
InChIKeyRQAHUZYXGBSDKK-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.30
Rot. Bonds4

About [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-cyclopropylmethanone

[2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-cyclopropylmethanone (PubChem CID 51097802) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-cyclopropylmethanone
PubChem CID51097802
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name[2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCCC1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H28N2O/c23-20(18-8-9-18)22-12-4-7-19(22)17-10-13-21(14-11-17)15-16-5-2-1-3-6-16/h1-3,5-6,17-19H,4,7-15H2
InChIKeyRQAHUZYXGBSDKK-UHFFFAOYSA-N
XLogP3.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-cyclopropylmethanone (CID 51097802) is [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCCC1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-cyclopropylmethanone?
The InChIKey is RQAHUZYXGBSDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c23-20(18-8-9-18)22-12-4-7-19(22)17-10-13-21(14-11-17)15-16-5-2-1-3-6-16/h1-3,5-6,17-19H,4,7-15H2.
What are the key properties of [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-cyclopropylmethanone?
[2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-cyclopropylmethanone has a molecular weight of 312.46 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 51097802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).