3-[[1-(3-cyclopentylpropanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

C19H30N4O2 — CID 95812428

IUPAC3-[[1-(3-cyclopentylpropanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(N)=O)c(CC2CCN(C(=O)CCC3CCCC3)CC2)n1
InChIInChI=1S/C19H30N4O2/c1-22-13-16(19(20)25)17(21-22)12-15-8-10-23(11-9-15)18(24)7-6-14-4-2-3-5-14/h13-15H,2-12H2,1H3,(H2,20,25)
InChIKeyXPNDAXFGNIRJPP-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.27
Rot. Bonds6

About 3-[[1-(3-cyclopentylpropanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

3-[[1-(3-cyclopentylpropanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 95812428) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 3-[[1-(3-cyclopentylpropanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[[1-(3-cyclopentylpropanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID95812428
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name3-[[1-(3-cyclopentylpropanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(N)=O)c(CC2CCN(C(=O)CCC3CCCC3)CC2)n1
InChIInChI=1S/C19H30N4O2/c1-22-13-16(19(20)25)17(21-22)12-15-8-10-23(11-9-15)18(24)7-6-14-4-2-3-5-14/h13-15H,2-12H2,1H3,(H2,20,25)
InChIKeyXPNDAXFGNIRJPP-UHFFFAOYSA-N
XLogP2.27
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 53511115
CID 53511115
CID 53526983
CID 53526983
CID 53541073
CID 53541073
CID 99778581
CID 99778581
CID 42669803
CID 42669803
CID 42669804
CID 42669804
CID 42669806
CID 42669806
CID 53014924
CID 53014924
CID 72929751
CID 72929751

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-cyclopentylpropanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-[[1-(3-cyclopentylpropanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide (CID 95812428) is 3-[[1-(3-cyclopentylpropanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-[[1-(3-cyclopentylpropanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-[[1-(3-cyclopentylpropanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(N)=O)c(CC2CCN(C(=O)CCC3CCCC3)CC2)n1.
What is the InChIKey of 3-[[1-(3-cyclopentylpropanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is XPNDAXFGNIRJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-22-13-16(19(20)25)17(21-22)12-15-8-10-23(11-9-15)18(24)7-6-14-4-2-3-5-14/h13-15H,2-12H2,1H3,(H2,20,25).
What are the key properties of 3-[[1-(3-cyclopentylpropanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
3-[[1-(3-cyclopentylpropanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-cyclopentylpropanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 95812428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).