2-ethoxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]benzamide

C20H28N4O2 — CID 128989481

IUPAC2-ethoxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]benzamide
SMILESCCOc1ccccc1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C
InChIInChI=1S/C20H28N4O2/c1-4-26-18-10-6-5-9-16(18)20(25)21-14-15-8-7-13-23(2)19(15)17-11-12-22-24(17)3/h5-6,9-12,15,19H,4,7-8,13-14H2,1-3H3,(H,21,25)/t15-,19+/m0/s1
InChIKeyKBPKNCKFCXQCPD-HNAYVOBHSA-N
MW356.47 g/mol
LogP2.63
Rot. Bonds6

About 2-ethoxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]benzamide

2-ethoxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]benzamide (PubChem CID 128989481) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-ethoxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]benzamide
PubChem CID128989481
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-ethoxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]benzamide
SMILESCCOc1ccccc1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C
InChIInChI=1S/C20H28N4O2/c1-4-26-18-10-6-5-9-16(18)20(25)21-14-15-8-7-13-23(2)19(15)17-11-12-22-24(17)3/h5-6,9-12,15,19H,4,7-8,13-14H2,1-3H3,(H,21,25)/t15-,19+/m0/s1
InChIKeyKBPKNCKFCXQCPD-HNAYVOBHSA-N
XLogP2.63
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 128989331
2-cyclohexyloxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide
CID 128989291
2-(3-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide
CID 128984529
N-[(2-bromocyclopentyl)methyl]-2-ethoxybenzamide
CID 113275455
2-cyano-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyridine-4-carboxamide
CID 128984602
N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-ethoxybenzamide
CID 3232201
2-ethoxy-N-[(3-ethylpiperidin-2-yl)methyl]benzamide
CID 82732420
2-ethoxy-N-[[(2R)-oxiran-2-yl]methyl]benzamide
CID 97180721
N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-ethoxybenzamide
CID 94822684
2-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazole-3-sulfonamide
CID 128977860
2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521364
1-(furan-2-ylmethyl)-2-methyl-3-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine
CID 120972939

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of 2-ethoxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]benzamide (CID 128989481) is 2-ethoxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]benzamide is CCOc1ccccc1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C.
What is the InChIKey of 2-ethoxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]benzamide?
The InChIKey is KBPKNCKFCXQCPD-HNAYVOBHSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-4-26-18-10-6-5-9-16(18)20(25)21-14-15-8-7-13-23(2)19(15)17-11-12-22-24(17)3/h5-6,9-12,15,19H,4,7-8,13-14H2,1-3H3,(H,21,25)/t15-,19+/m0/s1.
What are the key properties of 2-ethoxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]benzamide?
2-ethoxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]benzamide has a molecular weight of 356.47 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 128989481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).