1-ethyl-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylpyrazole-3-carboxamide

C17H28N4O3 — CID 53151094

IUPAC1-ethyl-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)N(C)CC(=O)N2CCC(CCOC)CC2)n1
InChIInChI=1S/C17H28N4O3/c1-4-21-11-7-15(18-21)17(23)19(2)13-16(22)20-9-5-14(6-10-20)8-12-24-3/h7,11,14H,4-6,8-10,12-13H2,1-3H3
InChIKeyGEGMZNGQBUTPNV-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.25
Rot. Bonds7

About 1-ethyl-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylpyrazole-3-carboxamide

1-ethyl-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylpyrazole-3-carboxamide (PubChem CID 53151094) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-ethyl-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylpyrazole-3-carboxamide
PubChem CID53151094
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name1-ethyl-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)N(C)CC(=O)N2CCC(CCOC)CC2)n1
InChIInChI=1S/C17H28N4O3/c1-4-21-11-7-15(18-21)17(23)19(2)13-16(22)20-9-5-14(6-10-20)8-12-24-3/h7,11,14H,4-6,8-10,12-13H2,1-3H3
InChIKeyGEGMZNGQBUTPNV-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 53151061
(1-ethylpyrazol-3-yl)-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone
CID 50846942
1-[4-(2-methoxyethyl)piperidin-1-yl]pentan-1-one
CID 90437878
N,1-diethylpyrazole-3-carboxamide
CID 19262384
1-(cyclopropylmethyl)-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide
CID 134394459
1-[4-(2-methoxyethyl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 146064318
1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-(2-methoxyethoxy)-4-pyridin-4-ylazetidin-2-one
CID 171142280
5-bromo-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119644278
(4-chlorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150807
(1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
CID 163333524
3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one
CID 53150681
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19278009

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylpyrazole-3-carboxamide (CID 53151094) is 1-ethyl-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylpyrazole-3-carboxamide is CCn1ccc(C(=O)N(C)CC(=O)N2CCC(CCOC)CC2)n1.
What is the InChIKey of 1-ethyl-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is GEGMZNGQBUTPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-4-21-11-7-15(18-21)17(23)19(2)13-16(22)20-9-5-14(6-10-20)8-12-24-3/h7,11,14H,4-6,8-10,12-13H2,1-3H3.
What are the key properties of 1-ethyl-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylpyrazole-3-carboxamide?
1-ethyl-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 1.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 53151094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).