(4-pyrrolidin-2-ylpiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone

C16H26N4O — CID 63259075

IUPAC(4-pyrrolidin-2-ylpiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C16H26N4O/c1-11-15(12(2)19(3)18-11)16(21)20-9-6-13(7-10-20)14-5-4-8-17-14/h13-14,17H,4-10H2,1-3H3
InChIKeyYGHUCSUGEZWAHA-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.64
Rot. Bonds2

About (4-pyrrolidin-2-ylpiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone

(4-pyrrolidin-2-ylpiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 63259075) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (4-pyrrolidin-2-ylpiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-pyrrolidin-2-ylpiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID63259075
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(4-pyrrolidin-2-ylpiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C16H26N4O/c1-11-15(12(2)19(3)18-11)16(21)20-9-6-13(7-10-20)14-5-4-8-17-14/h13-14,17H,4-10H2,1-3H3
InChIKeyYGHUCSUGEZWAHA-UHFFFAOYSA-N
XLogP1.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-pyrrolidin-2-ylpiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of (4-pyrrolidin-2-ylpiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 63259075) is (4-pyrrolidin-2-ylpiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-pyrrolidin-2-ylpiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for (4-pyrrolidin-2-ylpiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1nn(C)c(C)c1C(=O)N1CCC(C2CCCN2)CC1.
What is the InChIKey of (4-pyrrolidin-2-ylpiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is YGHUCSUGEZWAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11-15(12(2)19(3)18-11)16(21)20-9-6-13(7-10-20)14-5-4-8-17-14/h13-14,17H,4-10H2,1-3H3.
What are the key properties of (4-pyrrolidin-2-ylpiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
(4-pyrrolidin-2-ylpiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 290.41 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrrolidin-2-ylpiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 63259075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).