3-ethoxy-N-[[1-[3-(1,2,4-triazol-4-yl)propanoyl]piperidin-3-yl]methyl]benzamide

C20H27N5O3 — CID 131936767

IUPAC3-ethoxy-N-[[1-[3-(1,2,4-triazol-4-yl)propanoyl]piperidin-3-yl]methyl]benzamide
SMILESCCOc1cccc(C(=O)NCC2CCCN(C(=O)CCn3cnnc3)C2)c1
InChIInChI=1S/C20H27N5O3/c1-2-28-18-7-3-6-17(11-18)20(27)21-12-16-5-4-9-25(13-16)19(26)8-10-24-14-22-23-15-24/h3,6-7,11,14-16H,2,4-5,8-10,12-13H2,1H3,(H,21,27)
InChIKeyRHTNEGORFKHUTR-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.74
Rot. Bonds8

About 3-ethoxy-N-[[1-[3-(1,2,4-triazol-4-yl)propanoyl]piperidin-3-yl]methyl]benzamide

3-ethoxy-N-[[1-[3-(1,2,4-triazol-4-yl)propanoyl]piperidin-3-yl]methyl]benzamide (PubChem CID 131936767) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-ethoxy-N-[[1-[3-(1,2,4-triazol-4-yl)propanoyl]piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[[1-[3-(1,2,4-triazol-4-yl)propanoyl]piperidin-3-yl]methyl]benzamide
PubChem CID131936767
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name3-ethoxy-N-[[1-[3-(1,2,4-triazol-4-yl)propanoyl]piperidin-3-yl]methyl]benzamide
SMILESCCOc1cccc(C(=O)NCC2CCCN(C(=O)CCn3cnnc3)C2)c1
InChIInChI=1S/C20H27N5O3/c1-2-28-18-7-3-6-17(11-18)20(27)21-12-16-5-4-9-25(13-16)19(26)8-10-24-14-22-23-15-24/h3,6-7,11,14-16H,2,4-5,8-10,12-13H2,1H3,(H,21,27)
InChIKeyRHTNEGORFKHUTR-UHFFFAOYSA-N
XLogP1.74
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397688
N-[[(3S)-1-(3-ethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95151002
N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-3-ethoxybenzamide
CID 94822965
1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one
CID 96579568
N-cyclopropyl-3-[[(3S)-1-propanoylpiperidin-3-yl]methoxy]benzamide
CID 92901036
3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513246
3,5-dimethoxy-N-[[1-(2-methylsulfanylacetyl)piperidin-3-yl]methyl]benzamide
CID 45199638
N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107026999
1-[3-(methylaminomethyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 119394761
N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutyl]benzamide;hydrochloride
CID 119398775
4-(3-acetylphenoxy)-N-[[(3S)-1-methylpiperidin-3-yl]methyl]butanamide
CID 95979549
(3-ethoxyphenyl)-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 136540847

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[[1-[3-(1,2,4-triazol-4-yl)propanoyl]piperidin-3-yl]methyl]benzamide?
The IUPAC name of 3-ethoxy-N-[[1-[3-(1,2,4-triazol-4-yl)propanoyl]piperidin-3-yl]methyl]benzamide (CID 131936767) is 3-ethoxy-N-[[1-[3-(1,2,4-triazol-4-yl)propanoyl]piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[[1-[3-(1,2,4-triazol-4-yl)propanoyl]piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-ethoxy-N-[[1-[3-(1,2,4-triazol-4-yl)propanoyl]piperidin-3-yl]methyl]benzamide is CCOc1cccc(C(=O)NCC2CCCN(C(=O)CCn3cnnc3)C2)c1.
What is the InChIKey of 3-ethoxy-N-[[1-[3-(1,2,4-triazol-4-yl)propanoyl]piperidin-3-yl]methyl]benzamide?
The InChIKey is RHTNEGORFKHUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-2-28-18-7-3-6-17(11-18)20(27)21-12-16-5-4-9-25(13-16)19(26)8-10-24-14-22-23-15-24/h3,6-7,11,14-16H,2,4-5,8-10,12-13H2,1H3,(H,21,27).
What are the key properties of 3-ethoxy-N-[[1-[3-(1,2,4-triazol-4-yl)propanoyl]piperidin-3-yl]methyl]benzamide?
3-ethoxy-N-[[1-[3-(1,2,4-triazol-4-yl)propanoyl]piperidin-3-yl]methyl]benzamide has a molecular weight of 385.47 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[[1-[3-(1,2,4-triazol-4-yl)propanoyl]piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 131936767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).