N-cyclopropyl-4-methoxy-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]oxybenzamide

C26H32N2O4 — CID 24817407

IUPACN-cyclopropyl-4-methoxy-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]oxybenzamide
SMILESCOc1ccccc1/C=C/CN1CCC(Oc2cc(C(=O)NC3CC3)ccc2OC)CC1
InChIInChI=1S/C26H32N2O4/c1-30-23-8-4-3-6-19(23)7-5-15-28-16-13-22(14-17-28)32-25-18-20(9-12-24(25)31-2)26(29)27-21-10-11-21/h3-9,12,18,21-22H,10-11,13-17H2,1-2H3,(H,27,29)/b7-5+
InChIKeyRCEHZPUJNWEUHK-FNORWQNLSA-N
MW436.55 g/mol
LogP4.15
Rot. Bonds9

About N-cyclopropyl-4-methoxy-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]oxybenzamide

N-cyclopropyl-4-methoxy-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]oxybenzamide (PubChem CID 24817407) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]oxybenzamide
PubChem CID24817407
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC NameN-cyclopropyl-4-methoxy-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]oxybenzamide
SMILESCOc1ccccc1/C=C/CN1CCC(Oc2cc(C(=O)NC3CC3)ccc2OC)CC1
InChIInChI=1S/C26H32N2O4/c1-30-23-8-4-3-6-19(23)7-5-15-28-16-13-22(14-17-28)32-25-18-20(9-12-24(25)31-2)26(29)27-21-10-11-21/h3-9,12,18,21-22H,10-11,13-17H2,1-2H3,(H,27,29)/b7-5+
InChIKeyRCEHZPUJNWEUHK-FNORWQNLSA-N
XLogP4.15
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-methoxy-3-[1-(3-phenylbutyl)piperidin-4-yl]oxybenzamide
CID 45232215
3-(1-cyclobutylpiperidin-4-yl)oxy-N-cyclopropyl-4-methoxybenzamide
CID 42120029
N-cyclopropyl-4-methoxy-2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]oxybenzamide
CID 42564920
[4-methoxy-2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26329530
N-cyclopropyl-2-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridine-4-carboxamide
CID 72916898
(4S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azepan-4-ol
CID 129487837
(3S,4S)-3-(hydroxymethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol
CID 157011117
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
3-chloro-4-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 42213601

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]oxybenzamide?
The IUPAC name of N-cyclopropyl-4-methoxy-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]oxybenzamide (CID 24817407) is N-cyclopropyl-4-methoxy-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-cyclopropyl-4-methoxy-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-cyclopropyl-4-methoxy-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]oxybenzamide is COc1ccccc1/C=C/CN1CCC(Oc2cc(C(=O)NC3CC3)ccc2OC)CC1.
What is the InChIKey of N-cyclopropyl-4-methoxy-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]oxybenzamide?
The InChIKey is RCEHZPUJNWEUHK-FNORWQNLSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-30-23-8-4-3-6-19(23)7-5-15-28-16-13-22(14-17-28)32-25-18-20(9-12-24(25)31-2)26(29)27-21-10-11-21/h3-9,12,18,21-22H,10-11,13-17H2,1-2H3,(H,27,29)/b7-5+.
What are the key properties of N-cyclopropyl-4-methoxy-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]oxybenzamide?
N-cyclopropyl-4-methoxy-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]oxybenzamide has a molecular weight of 436.55 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methoxy-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 24817407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).