2-[4-[(1-tert-butylpyrazol-4-yl)carbamoylamino]piperidin-1-yl]-N-methylacetamide

C16H28N6O2 — CID 138042286

IUPAC2-[4-[(1-tert-butylpyrazol-4-yl)carbamoylamino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NC(=O)Nc2cnn(C(C)(C)C)c2)CC1
InChIInChI=1S/C16H28N6O2/c1-16(2,3)22-10-13(9-18-22)20-15(24)19-12-5-7-21(8-6-12)11-14(23)17-4/h9-10,12H,5-8,11H2,1-4H3,(H,17,23)(H2,19,20,24)
InChIKeyOLZCNLXPJMWNBP-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.97
Rot. Bonds4

About 2-[4-[(1-tert-butylpyrazol-4-yl)carbamoylamino]piperidin-1-yl]-N-methylacetamide

2-[4-[(1-tert-butylpyrazol-4-yl)carbamoylamino]piperidin-1-yl]-N-methylacetamide (PubChem CID 138042286) has the molecular formula C16H28N6O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[4-[(1-tert-butylpyrazol-4-yl)carbamoylamino]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(1-tert-butylpyrazol-4-yl)carbamoylamino]piperidin-1-yl]-N-methylacetamide
PubChem CID138042286
Molecular FormulaC16H28N6O2
Molecular Weight336.44 g/mol
Exact Mass336.23
IUPAC Name2-[4-[(1-tert-butylpyrazol-4-yl)carbamoylamino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NC(=O)Nc2cnn(C(C)(C)C)c2)CC1
InChIInChI=1S/C16H28N6O2/c1-16(2,3)22-10-13(9-18-22)20-15(24)19-12-5-7-21(8-6-12)11-14(23)17-4/h9-10,12H,5-8,11H2,1-4H3,(H,17,23)(H2,19,20,24)
InChIKeyOLZCNLXPJMWNBP-UHFFFAOYSA-N
XLogP0.97
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 47170090
2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 60751395
N-(1-tert-butylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 138992861
1-(1-tert-butylpyrazol-4-yl)-3-(1-methyl-2-phenylpyrrolidin-3-yl)urea
CID 119034887
1-(1-acetylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea
CID 47200172
1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea
CID 115617906
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide
CID 32526900
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 43704790
N-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide
CID 47463711
N-methyl-2-[4-(thian-4-ylamino)pyrazol-1-yl]acetamide
CID 54866384
N-(1-tert-butylpyrazol-4-yl)pentanamide
CID 86860471
2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3220766

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-tert-butylpyrazol-4-yl)carbamoylamino]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(1-tert-butylpyrazol-4-yl)carbamoylamino]piperidin-1-yl]-N-methylacetamide (CID 138042286) is 2-[4-[(1-tert-butylpyrazol-4-yl)carbamoylamino]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(1-tert-butylpyrazol-4-yl)carbamoylamino]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(1-tert-butylpyrazol-4-yl)carbamoylamino]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(NC(=O)Nc2cnn(C(C)(C)C)c2)CC1.
What is the InChIKey of 2-[4-[(1-tert-butylpyrazol-4-yl)carbamoylamino]piperidin-1-yl]-N-methylacetamide?
The InChIKey is OLZCNLXPJMWNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O2/c1-16(2,3)22-10-13(9-18-22)20-15(24)19-12-5-7-21(8-6-12)11-14(23)17-4/h9-10,12H,5-8,11H2,1-4H3,(H,17,23)(H2,19,20,24).
What are the key properties of 2-[4-[(1-tert-butylpyrazol-4-yl)carbamoylamino]piperidin-1-yl]-N-methylacetamide?
2-[4-[(1-tert-butylpyrazol-4-yl)carbamoylamino]piperidin-1-yl]-N-methylacetamide has a molecular weight of 336.44 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-tert-butylpyrazol-4-yl)carbamoylamino]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 138042286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).