2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-(oxolan-2-ylmethyl)-N-propylbenzamide

C25H36N2O5 — CID 45173624

IUPAC2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-(oxolan-2-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCCO1)C(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C25H36N2O5/c1-3-12-27(17-21-5-4-15-31-21)25(29)22-16-20(30-2)8-9-23(22)32-19-10-13-26(14-11-19)24(28)18-6-7-18/h8-9,16,18-19,21H,3-7,10-15,17H2,1-2H3
InChIKeyBORNGBSBZXFFLT-UHFFFAOYSA-N
MW444.57 g/mol
LogP3.51
Rot. Bonds9

About 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-(oxolan-2-ylmethyl)-N-propylbenzamide

2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-(oxolan-2-ylmethyl)-N-propylbenzamide (PubChem CID 45173624) has the molecular formula C25H36N2O5 and a molecular weight of 444.57 g/mol. Its IUPAC name is 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-(oxolan-2-ylmethyl)-N-propylbenzamide.

Molecular Properties

Compound Name2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-(oxolan-2-ylmethyl)-N-propylbenzamide
PubChem CID45173624
Molecular FormulaC25H36N2O5
Molecular Weight444.57 g/mol
Exact Mass444.26
IUPAC Name2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-(oxolan-2-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCCO1)C(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C25H36N2O5/c1-3-12-27(17-21-5-4-15-31-21)25(29)22-16-20(30-2)8-9-23(22)32-19-10-13-26(14-11-19)24(28)18-6-7-18/h8-9,16,18-19,21H,3-7,10-15,17H2,1-2H3
InChIKeyBORNGBSBZXFFLT-UHFFFAOYSA-N
XLogP3.51
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.57
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-methyl-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 42473774
2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide
CID 56803297
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxybenzamide
CID 26334227
N-ethyl-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide
CID 45186750
(3S)-4-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzoyl]-1-ethyl-3-methylpiperazin-2-one
CID 70714732
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2,5-difluorophenyl)methyl]-5-methoxybenzamide
CID 25277673
N-[[(2R)-oxolan-2-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-propylbenzamide
CID 25281267
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide
CID 45180353
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
5-(2,5-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 93143825
5-[(3-methoxyphenoxy)methyl]-N-(oxolan-2-ylmethyl)-N-propyl-1,2-oxazole-3-carboxamide
CID 24791304

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-(oxolan-2-ylmethyl)-N-propylbenzamide?
The IUPAC name of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-(oxolan-2-ylmethyl)-N-propylbenzamide (CID 45173624) is 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-(oxolan-2-ylmethyl)-N-propylbenzamide.
What is the SMILES notation for 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-(oxolan-2-ylmethyl)-N-propylbenzamide?
The canonical SMILES for 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-(oxolan-2-ylmethyl)-N-propylbenzamide is CCCN(CC1CCCO1)C(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-(oxolan-2-ylmethyl)-N-propylbenzamide?
The InChIKey is BORNGBSBZXFFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O5/c1-3-12-27(17-21-5-4-15-31-21)25(29)22-16-20(30-2)8-9-23(22)32-19-10-13-26(14-11-19)24(28)18-6-7-18/h8-9,16,18-19,21H,3-7,10-15,17H2,1-2H3.
What are the key properties of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-(oxolan-2-ylmethyl)-N-propylbenzamide?
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-(oxolan-2-ylmethyl)-N-propylbenzamide has a molecular weight of 444.57 g/mol, XLogP of 3.51, 9 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-(oxolan-2-ylmethyl)-N-propylbenzamide is sourced from PubChem (CID 45173624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).