1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide

C17H28N4O3 — CID 72932030

IUPAC1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(C(=O)N(C)CCCc2cnn(C)c2)C1
InChIInChI=1S/C17H28N4O3/c1-19(8-4-6-14-10-18-20(2)11-14)17(23)15-7-5-9-21(12-15)16(22)13-24-3/h10-11,15H,4-9,12-13H2,1-3H3
InChIKeySZWUTTFKBDSNHQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.70
Rot. Bonds7

About 1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide

1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide (PubChem CID 72932030) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide
PubChem CID72932030
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(C(=O)N(C)CCCc2cnn(C)c2)C1
InChIInChI=1S/C17H28N4O3/c1-19(8-4-6-14-10-18-20(2)11-14)17(23)15-7-5-9-21(12-15)16(22)13-24-3/h10-11,15H,4-9,12-13H2,1-3H3
InChIKeySZWUTTFKBDSNHQ-UHFFFAOYSA-N
XLogP0.70
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72873054
N~1~,N~1~,N~3~-trimethyl-N~3~-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-1,3-piperidinedicarboxamide
CID 72887361
1-(cyclobutylcarbonyl)-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-4-piperidinecarboxamide
CID 72888061
1-cyclopentyl-N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 72914681
1-isopropyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72915942
1-isopropyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72919300
1-cyclopentyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-6-oxo-3-piperidinecarboxamide
CID 72923965
N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-2-morpholinecarboxamide
CID 56917263
3-(2-ethylbutyl)-8-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70704915
(3R*,5S*)-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-5-(morpholin-4-ylcarbonyl)piperidine-3-carboxamide
CID 72849017
N-methyl-3-[(3R)-1-methylpiperidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
CID 97202138
3-(1-methylpyrazol-4-yl)-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 71856739

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide (CID 72932030) is 1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide is COCC(=O)N1CCCC(C(=O)N(C)CCCc2cnn(C)c2)C1.
What is the InChIKey of 1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide?
The InChIKey is SZWUTTFKBDSNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-19(8-4-6-14-10-18-20(2)11-14)17(23)15-7-5-9-21(12-15)16(22)13-24-3/h10-11,15H,4-9,12-13H2,1-3H3.
What are the key properties of 1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide?
1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 0.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyacetyl)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 72932030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).