1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide

C21H33N5O2 — CID 56875867

IUPAC1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C21H33N5O2/c1-14-19(15(2)24-23-14)12-22-20(27)17-4-3-9-26(13-17)18-7-10-25(11-8-18)21(28)16-5-6-16/h16-18H,3-13H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyXFEXZKSMRSXYQT-UHFFFAOYSA-N
MW387.53 g/mol
LogP1.76
Rot. Bonds5

About 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide

1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 56875867) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID56875867
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C21H33N5O2/c1-14-19(15(2)24-23-14)12-22-20(27)17-4-3-9-26(13-17)18-7-10-25(11-8-18)21(28)16-5-6-16/h16-18H,3-13H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyXFEXZKSMRSXYQT-UHFFFAOYSA-N
XLogP1.76
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide (CID 56875867) is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide is Cc1n[nH]c(C)c1CNC(=O)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1.
What is the InChIKey of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is XFEXZKSMRSXYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-14-19(15(2)24-23-14)12-22-20(27)17-4-3-9-26(13-17)18-7-10-25(11-8-18)21(28)16-5-6-16/h16-18H,3-13H2,1-2H3,(H,22,27)(H,23,24).
What are the key properties of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide?
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 56875867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).