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

C25H30N2O3 — CID 42564920

IUPACN-cyclopropyl-4-methoxy-2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]oxybenzamide
SMILESCOc1ccc(C(=O)NC2CC2)c(OC2CCN(C/C=C/c3ccccc3)CC2)c1
InChIInChI=1S/C25H30N2O3/c1-29-22-11-12-23(25(28)26-20-9-10-20)24(18-22)30-21-13-16-27(17-14-21)15-5-8-19-6-3-2-4-7-19/h2-8,11-12,18,20-21H,9-10,13-17H2,1H3,(H,26,28)/b8-5+
InChIKeyFWOOPRQOYTYVCX-VMPITWQZSA-N
MW406.53 g/mol
LogP4.14
Rot. Bonds8

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

N-cyclopropyl-4-methoxy-2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]oxybenzamide (PubChem CID 42564920) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]oxybenzamide
PubChem CID42564920
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC NameN-cyclopropyl-4-methoxy-2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]oxybenzamide
SMILESCOc1ccc(C(=O)NC2CC2)c(OC2CCN(C/C=C/c3ccccc3)CC2)c1
InChIInChI=1S/C25H30N2O3/c1-29-22-11-12-23(25(28)26-20-9-10-20)24(18-22)30-21-13-16-27(17-14-21)15-5-8-19-6-3-2-4-7-19/h2-8,11-12,18,20-21H,9-10,13-17H2,1H3,(H,26,28)/b8-5+
InChIKeyFWOOPRQOYTYVCX-VMPITWQZSA-N
XLogP4.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.14
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
2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]oxy-N-cyclopropyl-4-methoxybenzamide
CID 26409216
[4-methoxy-2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26329530
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
4-methoxy-N-(2-methoxyethyl)-2-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 25458681
N-(2,4-dimethoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 108990292
N-cyclopropyl-4-methoxy-2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-4-yl]oxybenzamide
CID 25459724
N-cyclopropyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]triazole-4-carboxamide
CID 26319284
N-cyclopropyl-4-methoxy-2-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]oxybenzamide
CID 72864995
(2-bromo-5-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4807090
2-(2-aminoethoxy)-N-(1-benzylpyrrolidin-3-yl)-4-methoxybenzamide
CID 118784879
N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide
CID 18156341

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]oxybenzamide?
The IUPAC name of N-cyclopropyl-4-methoxy-2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]oxybenzamide (CID 42564920) is N-cyclopropyl-4-methoxy-2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-cyclopropyl-4-methoxy-2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-cyclopropyl-4-methoxy-2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]oxybenzamide is COc1ccc(C(=O)NC2CC2)c(OC2CCN(C/C=C/c3ccccc3)CC2)c1.
What is the InChIKey of N-cyclopropyl-4-methoxy-2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]oxybenzamide?
The InChIKey is FWOOPRQOYTYVCX-VMPITWQZSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-29-22-11-12-23(25(28)26-20-9-10-20)24(18-22)30-21-13-16-27(17-14-21)15-5-8-19-6-3-2-4-7-19/h2-8,11-12,18,20-21H,9-10,13-17H2,1H3,(H,26,28)/b8-5+.
What are the key properties of N-cyclopropyl-4-methoxy-2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]oxybenzamide?
N-cyclopropyl-4-methoxy-2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]oxybenzamide has a molecular weight of 406.53 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methoxy-2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 42564920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).