3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-ethylhex-5-en-3-yl)benzamide

C24H34N2O3 — CID 138751637

IUPAC3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-ethylhex-5-en-3-yl)benzamide
SMILESC=CCC(CC)(CC)NC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C24H34N2O3/c1-4-14-24(5-2,6-3)25-22(27)19-8-7-9-21(17-19)29-20-12-15-26(16-13-20)23(28)18-10-11-18/h4,7-9,17-18,20H,1,5-6,10-16H2,2-3H3,(H,25,27)
InChIKeyNRJCCIXIGZKBRU-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.33
Rot. Bonds9

About 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-ethylhex-5-en-3-yl)benzamide

3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-ethylhex-5-en-3-yl)benzamide (PubChem CID 138751637) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-ethylhex-5-en-3-yl)benzamide.

Molecular Properties

Compound Name3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-ethylhex-5-en-3-yl)benzamide
PubChem CID138751637
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-ethylhex-5-en-3-yl)benzamide
SMILESC=CCC(CC)(CC)NC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C24H34N2O3/c1-4-14-24(5-2,6-3)25-22(27)19-8-7-9-21(17-19)29-20-12-15-26(16-13-20)23(28)18-10-11-18/h4,7-9,17-18,20H,1,5-6,10-16H2,2-3H3,(H,25,27)
InChIKeyNRJCCIXIGZKBRU-UHFFFAOYSA-N
XLogP4.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)benzamide
CID 45182476
methyl 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperidine-2-carboxylate
CID 24793925
3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 25477439
1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-3-phenylpropan-1-one
CID 158871162
3-(1-methoxycarbonylpiperidin-4-yl)oxybenzoic acid
CID 118929960
3-cyclopentyloxy-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
CID 122141053
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100
N-benzyl-3-(1-but-3-enoylpiperidin-4-yl)oxybenzamide
CID 28957115
[4-[3-[(1S,4S)-2-azabicyclo[2.2.1]heptane-2-carbonyl]phenoxy]piperidin-1-yl]-cyclopropylmethanone
CID 45172491
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
ethyl 4-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]amino]piperidine-1-carboxylate
CID 25378335
N-[4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide
CID 154587112

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-ethylhex-5-en-3-yl)benzamide?
The IUPAC name of 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-ethylhex-5-en-3-yl)benzamide (CID 138751637) is 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-ethylhex-5-en-3-yl)benzamide.
What is the SMILES notation for 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-ethylhex-5-en-3-yl)benzamide?
The canonical SMILES for 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-ethylhex-5-en-3-yl)benzamide is C=CCC(CC)(CC)NC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1.
What is the InChIKey of 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-ethylhex-5-en-3-yl)benzamide?
The InChIKey is NRJCCIXIGZKBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-4-14-24(5-2,6-3)25-22(27)19-8-7-9-21(17-19)29-20-12-15-26(16-13-20)23(28)18-10-11-18/h4,7-9,17-18,20H,1,5-6,10-16H2,2-3H3,(H,25,27).
What are the key properties of 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-ethylhex-5-en-3-yl)benzamide?
3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-ethylhex-5-en-3-yl)benzamide has a molecular weight of 398.55 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-ethylhex-5-en-3-yl)benzamide is sourced from PubChem (CID 138751637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).