N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide

C13H22N4O — CID 115665281

IUPACN-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)N1CCCCC1
InChIInChI=1S/C13H22N4O/c1-10-12(11(2)16(3)15-10)9-14-13(18)17-7-5-4-6-8-17/h4-9H2,1-3H3,(H,14,18)
InChIKeyAJOAEDHYDOIOGH-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.73
Rot. Bonds2

About N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide

N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide (PubChem CID 115665281) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
PubChem CID115665281
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)N1CCCCC1
InChIInChI=1S/C13H22N4O/c1-10-12(11(2)16(3)15-10)9-14-13(18)17-7-5-4-6-8-17/h4-9H2,1-3H3,(H,14,18)
InChIKeyAJOAEDHYDOIOGH-UHFFFAOYSA-N
XLogP1.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120963
5-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122985
1-piperidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 60705889
1-pyrrolidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 60705236
4-(cyclopropanecarbonyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,4-diazepane-1-carboxamide
CID 86802718
2-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79233219
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
2-sulfanyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 79237772
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azepane-1-carboxamide
CID 115584088
(2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 79236660
1-[[(2R)-oxolan-2-yl]methyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 92750570
4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79233469

Frequently Asked Questions

What is the IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide (CID 115665281) is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide is Cc1nn(C)c(C)c1CNC(=O)N1CCCCC1.
What is the InChIKey of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide?
The InChIKey is AJOAEDHYDOIOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-12(11(2)16(3)15-10)9-14-13(18)17-7-5-4-6-8-17/h4-9H2,1-3H3,(H,14,18).
What are the key properties of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide?
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 115665281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).