2,2-dimethyl-N-[2-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide

C21H37N5O — CID 26316039

IUPAC2,2-dimethyl-N-[2-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide
SMILESCCCN1CCC(N2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)CC1
InChIInChI=1S/C21H37N5O/c1-5-12-24-13-7-17(8-14-24)25-15-9-18(10-16-25)26-19(6-11-22-26)23-20(27)21(2,3)4/h6,11,17-18H,5,7-10,12-16H2,1-4H3,(H,23,27)
InChIKeyVFYFEWNSLIXRAJ-UHFFFAOYSA-N
MW375.56 g/mol
LogP3.38
Rot. Bonds5

About 2,2-dimethyl-N-[2-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide

2,2-dimethyl-N-[2-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide (PubChem CID 26316039) has the molecular formula C21H37N5O and a molecular weight of 375.56 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide
PubChem CID26316039
Molecular FormulaC21H37N5O
Molecular Weight375.56 g/mol
Exact Mass375.30
IUPAC Name2,2-dimethyl-N-[2-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide
SMILESCCCN1CCC(N2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)CC1
InChIInChI=1S/C21H37N5O/c1-5-12-24-13-7-17(8-14-24)25-15-9-18(10-16-25)26-19(6-11-22-26)23-20(27)21(2,3)4/h6,11,17-18H,5,7-10,12-16H2,1-4H3,(H,23,27)
InChIKeyVFYFEWNSLIXRAJ-UHFFFAOYSA-N
XLogP3.38
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2,2-dimethyl-N-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide
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CID 56739428
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CID 42557179
N-[2-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 24816873
2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide (CID 26316039) is 2,2-dimethyl-N-[2-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide is CCCN1CCC(N2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[2-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide?
The InChIKey is VFYFEWNSLIXRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O/c1-5-12-24-13-7-17(8-14-24)25-15-9-18(10-16-25)26-19(6-11-22-26)23-20(27)21(2,3)4/h6,11,17-18H,5,7-10,12-16H2,1-4H3,(H,23,27).
What are the key properties of 2,2-dimethyl-N-[2-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide?
2,2-dimethyl-N-[2-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide has a molecular weight of 375.56 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 26316039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).