[2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

C20H26N4O — CID 56821919

IUPAC[2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCCC1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H26N4O/c25-20(18-8-11-21-22-18)24-12-4-7-19(24)17-9-13-23(14-10-17)15-16-5-2-1-3-6-16/h1-3,5-6,8,11,17,19H,4,7,9-10,12-15H2,(H,21,22)
InChIKeySKNITJHMSUUULI-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.93
Rot. Bonds4

About [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

[2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 56821919) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID56821919
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name[2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCCC1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H26N4O/c25-20(18-8-11-21-22-18)24-12-4-7-19(24)17-9-13-23(14-10-17)15-16-5-2-1-3-6-16/h1-3,5-6,8,11,17,19H,4,7,9-10,12-15H2,(H,21,22)
InChIKeySKNITJHMSUUULI-UHFFFAOYSA-N
XLogP2.93
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 56821919) is [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is O=C(c1ccn[nH]1)N1CCCC1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is SKNITJHMSUUULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c25-20(18-8-11-21-22-18)24-12-4-7-19(24)17-9-13-23(14-10-17)15-16-5-2-1-3-6-16/h1-3,5-6,8,11,17,19H,4,7,9-10,12-15H2,(H,21,22).
What are the key properties of [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 338.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 56821919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).