N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide

C16H28N4O — CID 72907952

IUPACN-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)N(C)CCc2cnn(C)c2)CC1
InChIInChI=1S/C16H28N4O/c1-13(2)20-9-6-15(7-10-20)16(21)18(3)8-5-14-11-17-19(4)12-14/h11-13,15H,5-10H2,1-4H3
InChIKeyRNGBZVLXZSHUFK-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.54
Rot. Bonds5

About N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide

N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 72907952) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID72907952
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)N(C)CCc2cnn(C)c2)CC1
InChIInChI=1S/C16H28N4O/c1-13(2)20-9-6-15(7-10-20)16(21)18(3)8-5-14-11-17-19(4)12-14/h11-13,15H,5-10H2,1-4H3
InChIKeyRNGBZVLXZSHUFK-UHFFFAOYSA-N
XLogP1.54
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[2-(dimethylamino)ethyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97186593
4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63784679
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 72870110
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide
CID 72907985
1-cyclopentyl-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 70741608
(3R)-1-cyclopentyl-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97129425
(2S)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-pyrazol-1-ylpropanamide
CID 99926253
(3S)-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 97282831
N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72919300
formic acid;N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 154919111
N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide;dihydrochloride
CID 120884651
(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 97194638

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide (CID 72907952) is N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide is CC(C)N1CCC(C(=O)N(C)CCc2cnn(C)c2)CC1.
What is the InChIKey of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is RNGBZVLXZSHUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-13(2)20-9-6-15(7-10-20)16(21)18(3)8-5-14-11-17-19(4)12-14/h11-13,15H,5-10H2,1-4H3.
What are the key properties of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 72907952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).