1-methyl-N-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]pyrazole-3-carboxamide

C17H27N5O2 — CID 171993861

IUPAC1-methyl-N-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCCN(CC(=O)N3CCCCC3)C2)n1
InChIInChI=1S/C17H27N5O2/c1-20-11-7-15(19-20)17(24)18-14-6-5-8-21(12-14)13-16(23)22-9-3-2-4-10-22/h7,11,14H,2-6,8-10,12-13H2,1H3,(H,18,24)
InChIKeyUWXRIPBUWIDPAY-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.63
Rot. Bonds4

About 1-methyl-N-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]pyrazole-3-carboxamide

1-methyl-N-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 171993861) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-methyl-N-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]pyrazole-3-carboxamide
PubChem CID171993861
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name1-methyl-N-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCCN(CC(=O)N3CCCCC3)C2)n1
InChIInChI=1S/C17H27N5O2/c1-20-11-7-15(19-20)17(24)18-14-6-5-8-21(12-14)13-16(23)22-9-3-2-4-10-22/h7,11,14H,2-6,8-10,12-13H2,1H3,(H,18,24)
InChIKeyUWXRIPBUWIDPAY-UHFFFAOYSA-N
XLogP0.63
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(azepan-1-yl)-2-oxoethyl]piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993873
N-[1-(1,4-dioxan-2-ylmethyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171992887
1-(azepan-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119918785
N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993462
N-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993788
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 103118001
1-methyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 171993484
N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993464
1-(azepan-1-yl)-2-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]ethanone
CID 95707310
(3S)-N,N-dimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide
CID 95828671
1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 103120955
N-cyclopentyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 110268886

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]pyrazole-3-carboxamide (CID 171993861) is 1-methyl-N-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]pyrazole-3-carboxamide is Cn1ccc(C(=O)NC2CCCN(CC(=O)N3CCCCC3)C2)n1.
What is the InChIKey of 1-methyl-N-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is UWXRIPBUWIDPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-20-11-7-15(19-20)17(24)18-14-6-5-8-21(12-14)13-16(23)22-9-3-2-4-10-22/h7,11,14H,2-6,8-10,12-13H2,1H3,(H,18,24).
What are the key properties of 1-methyl-N-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]pyrazole-3-carboxamide?
1-methyl-N-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 171993861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).