3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)benzamide

C25H34N2O4 — CID 45182476

IUPAC3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)benzamide
SMILESC=CCC(O)(CC=C)C(C)NC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C25H34N2O4/c1-4-13-25(30,14-5-2)18(3)26-23(28)20-7-6-8-22(17-20)31-21-11-15-27(16-12-21)24(29)19-9-10-19/h4-8,17-19,21,30H,1-2,9-16H2,3H3,(H,26,28)
InChIKeyZVCNDIJGUZZOJD-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.47
Rot. Bonds10

About 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)benzamide

3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)benzamide (PubChem CID 45182476) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)benzamide.

Molecular Properties

Compound Name3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)benzamide
PubChem CID45182476
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC Name3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)benzamide
SMILESC=CCC(O)(CC=C)C(C)NC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C25H34N2O4/c1-4-13-25(30,14-5-2)18(3)26-23(28)20-7-6-8-22(17-20)31-21-11-15-27(16-12-21)24(29)19-9-10-19/h4-8,17-19,21,30H,1-2,9-16H2,3H3,(H,26,28)
InChIKeyZVCNDIJGUZZOJD-UHFFFAOYSA-N
XLogP3.47
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethylhex-5-en-3-yl)benzamide
CID 138751637
3-(1-methoxycarbonylpiperidin-4-yl)oxybenzoic acid
CID 118929960
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-6-hydroxy-6-methylheptan-2-yl]benzamide
CID 42305765
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
N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
CID 93198236
methyl 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperidine-2-carboxylate
CID 24793925
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylethyl)benzamide
CID 45216516
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
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide
CID 42508142

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)benzamide?
The IUPAC name of 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)benzamide (CID 45182476) is 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)benzamide.
What is the SMILES notation for 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)benzamide?
The canonical SMILES for 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)benzamide is C=CCC(O)(CC=C)C(C)NC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1.
What is the InChIKey of 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)benzamide?
The InChIKey is ZVCNDIJGUZZOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-4-13-25(30,14-5-2)18(3)26-23(28)20-7-6-8-22(17-20)31-21-11-15-27(16-12-21)24(29)19-9-10-19/h4-8,17-19,21,30H,1-2,9-16H2,3H3,(H,26,28).
What are the key properties of 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)benzamide?
3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)benzamide has a molecular weight of 426.56 g/mol, XLogP of 3.47, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)benzamide is sourced from PubChem (CID 45182476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).