2,2-dimethyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]propanamide

C16H28N4O — CID 163350952

IUPAC2,2-dimethyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]propanamide
SMILESCc1cnn(CCN2CCC(NC(=O)C(C)(C)C)CC2)c1
InChIInChI=1S/C16H28N4O/c1-13-11-17-20(12-13)10-9-19-7-5-14(6-8-19)18-15(21)16(2,3)4/h11-12,14H,5-10H2,1-4H3,(H,18,21)
InChIKeyOSKXJKIAMYWCOX-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.82
Rot. Bonds4

About 2,2-dimethyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]propanamide

2,2-dimethyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]propanamide (PubChem CID 163350952) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]propanamide
PubChem CID163350952
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2,2-dimethyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]propanamide
SMILESCc1cnn(CCN2CCC(NC(=O)C(C)(C)C)CC2)c1
InChIInChI=1S/C16H28N4O/c1-13-11-17-20(12-13)10-9-19-7-5-14(6-8-19)18-15(21)16(2,3)4/h11-12,14H,5-10H2,1-4H3,(H,18,21)
InChIKeyOSKXJKIAMYWCOX-UHFFFAOYSA-N
XLogP1.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-chloropyrrolidin-1-yl)ethyl]-4-methylpyrazole
CID 130516358
N-cyclopropyl-3-(4-methylpyrazol-1-yl)propanamide
CID 19559575
1-cyclopropyl-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thiourea
CID 4775106
N-(1-ethylpiperidin-4-yl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide
CID 95757698
4-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]pyrazole
CID 126947449
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 71880008
1-cyclopentyl-4-[2-(4-methylpyrazol-1-yl)ethyl]piperazine
CID 171701763
2,3-dihydroindol-1-yl-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanone
CID 172891765
2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-pyrrolidin-1-ylpropanamide
CID 119060470
N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 163351114
1-cyclopentyl-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
CID 103677225
N-[1-(cyclobutylmethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 163352611

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]propanamide (CID 163350952) is 2,2-dimethyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]propanamide is Cc1cnn(CCN2CCC(NC(=O)C(C)(C)C)CC2)c1.
What is the InChIKey of 2,2-dimethyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]propanamide?
The InChIKey is OSKXJKIAMYWCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-13-11-17-20(12-13)10-9-19-7-5-14(6-8-19)18-15(21)16(2,3)4/h11-12,14H,5-10H2,1-4H3,(H,18,21).
What are the key properties of 2,2-dimethyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]propanamide?
2,2-dimethyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]propanamide has a molecular weight of 292.43 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 163350952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).