2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-methyl-N-[[(2S)-oxan-2-yl]methyl]benzamide

C24H34N2O5 — CID 42473774

IUPAC2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-methyl-N-[[(2S)-oxan-2-yl]methyl]benzamide
SMILESCOc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N(C)C[C@@H]2CCCCO2)c1
InChIInChI=1S/C24H34N2O5/c1-25(16-20-5-3-4-14-30-20)24(28)21-15-19(29-2)8-9-22(21)31-18-10-12-26(13-11-18)23(27)17-6-7-17/h8-9,15,17-18,20H,3-7,10-14,16H2,1-2H3/t20-/m0/s1
InChIKeySJNTUXBMTOHCOC-FQEVSTJZSA-N
MW430.55 g/mol
LogP3.12
Rot. Bonds7

About 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-methyl-N-[[(2S)-oxan-2-yl]methyl]benzamide

2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-methyl-N-[[(2S)-oxan-2-yl]methyl]benzamide (PubChem CID 42473774) has the molecular formula C24H34N2O5 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-methyl-N-[[(2S)-oxan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-methyl-N-[[(2S)-oxan-2-yl]methyl]benzamide
PubChem CID42473774
Molecular FormulaC24H34N2O5
Molecular Weight430.55 g/mol
Exact Mass430.25
IUPAC Name2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-methyl-N-[[(2S)-oxan-2-yl]methyl]benzamide
SMILESCOc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N(C)C[C@@H]2CCCCO2)c1
InChIInChI=1S/C24H34N2O5/c1-25(16-20-5-3-4-14-30-20)24(28)21-15-19(29-2)8-9-22(21)31-18-10-12-26(13-11-18)23(27)17-6-7-17/h8-9,15,17-18,20H,3-7,10-14,16H2,1-2H3/t20-/m0/s1
InChIKeySJNTUXBMTOHCOC-FQEVSTJZSA-N
XLogP3.12
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-(oxolan-2-ylmethyl)-N-propylbenzamide
CID 45173624
4-methoxy-N-methyl-N-(oxan-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 45194364
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxybenzamide
CID 26334227
2-amino-3,5-dimethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 115950596
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2,5-difluorophenyl)methyl]-5-methoxybenzamide
CID 25277673
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzamide
CID 42567551
2-(1-acetylpiperidin-4-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]-5-methoxy-N-methylbenzamide
CID 42556868
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
(3S)-4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzoyl]-1-ethyl-3-methylpiperazin-2-one
CID 70714732
2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide
CID 56803297
3-(2,4-dimethoxyphenyl)-N-methyl-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 56503666
1-[4-[2-[(2S)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-4-methoxyphenoxy]piperidin-1-yl]ethanone
CID 42096484

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-methyl-N-[[(2S)-oxan-2-yl]methyl]benzamide?
The IUPAC name of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-methyl-N-[[(2S)-oxan-2-yl]methyl]benzamide (CID 42473774) is 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-methyl-N-[[(2S)-oxan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-methyl-N-[[(2S)-oxan-2-yl]methyl]benzamide?
The canonical SMILES for 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-methyl-N-[[(2S)-oxan-2-yl]methyl]benzamide is COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N(C)C[C@@H]2CCCCO2)c1.
What is the InChIKey of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-methyl-N-[[(2S)-oxan-2-yl]methyl]benzamide?
The InChIKey is SJNTUXBMTOHCOC-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H34N2O5/c1-25(16-20-5-3-4-14-30-20)24(28)21-15-19(29-2)8-9-22(21)31-18-10-12-26(13-11-18)23(27)17-6-7-17/h8-9,15,17-18,20H,3-7,10-14,16H2,1-2H3/t20-/m0/s1.
What are the key properties of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-methyl-N-[[(2S)-oxan-2-yl]methyl]benzamide?
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-methyl-N-[[(2S)-oxan-2-yl]methyl]benzamide has a molecular weight of 430.55 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-methyl-N-[[(2S)-oxan-2-yl]methyl]benzamide is sourced from PubChem (CID 42473774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).