2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxybenzamide

C24H35N3O4 — CID 26334227

IUPAC2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxybenzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C24H35N3O4/c1-3-26-12-4-5-18(26)16-25-23(28)21-15-20(30-2)8-9-22(21)31-19-10-13-27(14-11-19)24(29)17-6-7-17/h8-9,15,17-19H,3-7,10-14,16H2,1-2H3,(H,25,28)/t18-/m0/s1
InChIKeyWKBKZFFMNSTCKU-SFHVURJKSA-N
MW429.56 g/mol
LogP2.69
Rot. Bonds8

About 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxybenzamide

2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxybenzamide (PubChem CID 26334227) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxybenzamide
PubChem CID26334227
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC Name2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxybenzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C24H35N3O4/c1-3-26-12-4-5-18(26)16-25-23(28)21-15-20(30-2)8-9-22(21)31-19-10-13-27(14-11-19)24(29)17-6-7-17/h8-9,15,17-19H,3-7,10-14,16H2,1-2H3,(H,25,28)/t18-/m0/s1
InChIKeyWKBKZFFMNSTCKU-SFHVURJKSA-N
XLogP2.69
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 827298
2,5-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 23390396
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-propylbenzamide
CID 15167693
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole-2-carboxamide
CID 97496283
(3S)-4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzoyl]-1-ethyl-3-methylpiperazin-2-one
CID 70714732
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 42460138
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-(oxolan-2-ylmethyl)-N-propylbenzamide
CID 45173624
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
CID 42589509
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-methyl-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 42473774
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide;hydron;chloride
CID 45108246

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxybenzamide?
The IUPAC name of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxybenzamide (CID 26334227) is 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxybenzamide.
What is the SMILES notation for 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxybenzamide?
The canonical SMILES for 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxybenzamide is CCN1CCC[C@H]1CNC(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxybenzamide?
The InChIKey is WKBKZFFMNSTCKU-SFHVURJKSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-3-26-12-4-5-18(26)16-25-23(28)21-15-20(30-2)8-9-22(21)31-19-10-13-27(14-11-19)24(29)17-6-7-17/h8-9,15,17-19H,3-7,10-14,16H2,1-2H3,(H,25,28)/t18-/m0/s1.
What are the key properties of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxybenzamide?
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxybenzamide has a molecular weight of 429.56 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxybenzamide is sourced from PubChem (CID 26334227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).