3-methyl-N-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]butanamide

C20H33N5O2 — CID 42357769

IUPAC3-methyl-N-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESCC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)CN2CCCCC2)CC1
InChIInChI=1S/C20H33N5O2/c1-16(2)14-19(26)22-18-6-9-21-25(18)17-7-12-24(13-8-17)20(27)15-23-10-4-3-5-11-23/h6,9,16-17H,3-5,7-8,10-15H2,1-2H3,(H,22,26)
InChIKeyAWQRCNUVXWHLSI-UHFFFAOYSA-N
MW375.52 g/mol
LogP2.52
Rot. Bonds6

About 3-methyl-N-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]butanamide

3-methyl-N-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]butanamide (PubChem CID 42357769) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 3-methyl-N-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]butanamide
PubChem CID42357769
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name3-methyl-N-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESCC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)CN2CCCCC2)CC1
InChIInChI=1S/C20H33N5O2/c1-16(2)14-19(26)22-18-6-9-21-25(18)17-7-12-24(13-8-17)20(27)15-23-10-4-3-5-11-23/h6,9,16-17H,3-5,7-8,10-15H2,1-2H3,(H,22,26)
InChIKeyAWQRCNUVXWHLSI-UHFFFAOYSA-N
XLogP2.52
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]butanamide?
The IUPAC name of 3-methyl-N-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]butanamide (CID 42357769) is 3-methyl-N-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]butanamide?
The canonical SMILES for 3-methyl-N-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]butanamide is CC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)CN2CCCCC2)CC1.
What is the InChIKey of 3-methyl-N-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]butanamide?
The InChIKey is AWQRCNUVXWHLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-16(2)14-19(26)22-18-6-9-21-25(18)17-7-12-24(13-8-17)20(27)15-23-10-4-3-5-11-23/h6,9,16-17H,3-5,7-8,10-15H2,1-2H3,(H,22,26).
What are the key properties of 3-methyl-N-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]butanamide?
3-methyl-N-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]butanamide has a molecular weight of 375.52 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]butanamide is sourced from PubChem (CID 42357769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).