5-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

C16H27N5O — CID 45233020

IUPAC5-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(C3CCN(C)CC3)C2)n[nH]1
InChIInChI=1S/C16H27N5O/c1-12-10-15(19-18-12)16(22)17-13-4-3-7-21(11-13)14-5-8-20(2)9-6-14/h10,13-14H,3-9,11H2,1-2H3,(H,17,22)(H,18,19)
InChIKeyADDIEMBJYCAYNU-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.01
Rot. Bonds3

About 5-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 45233020) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 5-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID45233020
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name5-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(C3CCN(C)CC3)C2)n[nH]1
InChIInChI=1S/C16H27N5O/c1-12-10-15(19-18-12)16(22)17-13-4-3-7-21(11-13)14-5-8-20(2)9-6-14/h10,13-14H,3-9,11H2,1-2H3,(H,17,22)(H,18,19)
InChIKeyADDIEMBJYCAYNU-UHFFFAOYSA-N
XLogP1.01
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

3-acetyl-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 29028354
N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide
CID 126857183
N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide
CID 47109350
5-acetyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 56887081
2-chloro-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]benzamide
CID 30851817
3-amino-N-(1-cyclopentylpiperidin-3-yl)-1H-pyrazole-5-carboxamide
CID 91766340
N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-methylsulfanylbenzamide
CID 26409604
5-methyl-N-(1-phenylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
CID 110484336
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentanecarboxamide
CID 45181380
N-[(3S)-1-cycloheptylpiperidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 25311697
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 45209259
N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 138031289

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 45233020) is 5-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCCN(C3CCN(C)CC3)C2)n[nH]1.
What is the InChIKey of 5-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is ADDIEMBJYCAYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-12-10-15(19-18-12)16(22)17-13-4-3-7-21(11-13)14-5-8-20(2)9-6-14/h10,13-14H,3-9,11H2,1-2H3,(H,17,22)(H,18,19).
What are the key properties of 5-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 45233020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).