3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide

C13H22N4O — CID 119945380

IUPAC3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)C1(C)CCCNC1)c1cnn(C)c1
InChIInChI=1S/C13H22N4O/c1-10(11-7-15-17(3)8-11)16-12(18)13(2)5-4-6-14-9-13/h7-8,10,14H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyLCIWCFGOPMKJSA-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.99
Rot. Bonds3

About 3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide

3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide (PubChem CID 119945380) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
PubChem CID119945380
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)C1(C)CCCNC1)c1cnn(C)c1
InChIInChI=1S/C13H22N4O/c1-10(11-7-15-17(3)8-11)16-12(18)13(2)5-4-6-14-9-13/h7-8,10,14H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyLCIWCFGOPMKJSA-UHFFFAOYSA-N
XLogP0.99
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119322404
2-(1-methylcyclohexyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 97241002
N-[1-(3-acetamidophenyl)ethyl]-3-methylpiperidine-3-carboxamide
CID 119944327
3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-3-carboxamide
CID 63135102
3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 78952958
2-(1-methylpyrazol-4-yl)-2-[(2-methylpyrrolidine-2-carbonyl)amino]acetic acid
CID 115288702
N-[1-(2-chlorophenyl)ethyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943839
3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide
CID 63131193
2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 110470530
N-[1-(3,4-dichlorophenyl)ethyl]-1-methylcyclopentane-1-carboxamide
CID 134014985
N-[(1R)-1-cycloheptylethyl]-3-methylpiperidine-3-carboxamide
CID 81392969
N-[1-(1-ethylpyrazol-4-yl)ethyl]-4-methyloxane-4-carboxamide
CID 138017239

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide (CID 119945380) is 3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide is CC(NC(=O)C1(C)CCCNC1)c1cnn(C)c1.
What is the InChIKey of 3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is LCIWCFGOPMKJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(11-7-15-17(3)8-11)16-12(18)13(2)5-4-6-14-9-13/h7-8,10,14H,4-6,9H2,1-3H3,(H,16,18).
What are the key properties of 3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide?
3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 119945380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).