N-cyclopropyl-4-methoxy-3-[1-(3-phenylbutyl)piperidin-4-yl]oxybenzamide

C26H34N2O3 — CID 45232215

IUPACN-cyclopropyl-4-methoxy-3-[1-(3-phenylbutyl)piperidin-4-yl]oxybenzamide
SMILESCOc1ccc(C(=O)NC2CC2)cc1OC1CCN(CCC(C)c2ccccc2)CC1
InChIInChI=1S/C26H34N2O3/c1-19(20-6-4-3-5-7-20)12-15-28-16-13-23(14-17-28)31-25-18-21(8-11-24(25)30-2)26(29)27-22-9-10-22/h3-8,11,18-19,22-23H,9-10,12-17H2,1-2H3,(H,27,29)
InChIKeyGEQRCUDGLKETIY-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.62
Rot. Bonds9

About N-cyclopropyl-4-methoxy-3-[1-(3-phenylbutyl)piperidin-4-yl]oxybenzamide

N-cyclopropyl-4-methoxy-3-[1-(3-phenylbutyl)piperidin-4-yl]oxybenzamide (PubChem CID 45232215) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-3-[1-(3-phenylbutyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-3-[1-(3-phenylbutyl)piperidin-4-yl]oxybenzamide
PubChem CID45232215
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC NameN-cyclopropyl-4-methoxy-3-[1-(3-phenylbutyl)piperidin-4-yl]oxybenzamide
SMILESCOc1ccc(C(=O)NC2CC2)cc1OC1CCN(CCC(C)c2ccccc2)CC1
InChIInChI=1S/C26H34N2O3/c1-19(20-6-4-3-5-7-20)12-15-28-16-13-23(14-17-28)31-25-18-21(8-11-24(25)30-2)26(29)27-22-9-10-22/h3-8,11,18-19,22-23H,9-10,12-17H2,1-2H3,(H,27,29)
InChIKeyGEQRCUDGLKETIY-UHFFFAOYSA-N
XLogP4.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-methoxy-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]oxybenzamide
CID 24817407
3-(1-cyclobutylpiperidin-4-yl)oxy-N-cyclopropyl-4-methoxybenzamide
CID 42120029
[4-methoxy-2-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26409730
4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-propylbenzamide
CID 45488988
3-chloro-N-cyclopentyl-4-[1-(2-hydroxyethyl)piperidin-4-yl]oxybenzamide
CID 72877025
N-[1-[iodo(phenyl)methyl]piperidin-4-yl]-3-methoxy-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 69045688
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid
CID 117053796
4-methoxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 97280716
N-cyclopropyl-2-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridine-4-carboxamide
CID 72916898
[4-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25372785
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599
3,4-dimethoxy-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93290995

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-3-[1-(3-phenylbutyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-cyclopropyl-4-methoxy-3-[1-(3-phenylbutyl)piperidin-4-yl]oxybenzamide (CID 45232215) is N-cyclopropyl-4-methoxy-3-[1-(3-phenylbutyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-cyclopropyl-4-methoxy-3-[1-(3-phenylbutyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-cyclopropyl-4-methoxy-3-[1-(3-phenylbutyl)piperidin-4-yl]oxybenzamide is COc1ccc(C(=O)NC2CC2)cc1OC1CCN(CCC(C)c2ccccc2)CC1.
What is the InChIKey of N-cyclopropyl-4-methoxy-3-[1-(3-phenylbutyl)piperidin-4-yl]oxybenzamide?
The InChIKey is GEQRCUDGLKETIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-19(20-6-4-3-5-7-20)12-15-28-16-13-23(14-17-28)31-25-18-21(8-11-24(25)30-2)26(29)27-22-9-10-22/h3-8,11,18-19,22-23H,9-10,12-17H2,1-2H3,(H,27,29).
What are the key properties of N-cyclopropyl-4-methoxy-3-[1-(3-phenylbutyl)piperidin-4-yl]oxybenzamide?
N-cyclopropyl-4-methoxy-3-[1-(3-phenylbutyl)piperidin-4-yl]oxybenzamide has a molecular weight of 422.57 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methoxy-3-[1-(3-phenylbutyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 45232215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).