3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one

C19H30N4O2 — CID 45235577

IUPAC3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)n1cc(C(=O)N2CCC(CCC(=O)N3CCCC3)CC2)cn1
InChIInChI=1S/C19H30N4O2/c1-15(2)23-14-17(13-20-23)19(25)22-11-7-16(8-12-22)5-6-18(24)21-9-3-4-10-21/h13-16H,3-12H2,1-2H3
InChIKeyCDBIRPDTFRCHGE-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.72
Rot. Bonds5

About 3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 45235577) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID45235577
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC Name3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)n1cc(C(=O)N2CCC(CCC(=O)N3CCCC3)CC2)cn1
InChIInChI=1S/C19H30N4O2/c1-15(2)23-14-17(13-20-23)19(25)22-11-7-16(8-12-22)5-6-18(24)21-9-3-4-10-21/h13-16H,3-12H2,1-2H3
InChIKeyCDBIRPDTFRCHGE-UHFFFAOYSA-N
XLogP2.72
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 45235577) is 3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one is CC(C)n1cc(C(=O)N2CCC(CCC(=O)N3CCCC3)CC2)cn1.
What is the InChIKey of 3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is CDBIRPDTFRCHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15(2)23-14-17(13-20-23)19(25)22-11-7-16(8-12-22)5-6-18(24)21-9-3-4-10-21/h13-16H,3-12H2,1-2H3.
What are the key properties of 3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 346.47 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 45235577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).