4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-6-hydroxy-6-methylheptan-2-yl]benzamide

C24H36N2O4 — CID 42305765

IUPAC4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-6-hydroxy-6-methylheptan-2-yl]benzamide
SMILESC[C@H](CCCC(C)(C)O)NC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C24H36N2O4/c1-17(5-4-14-24(2,3)29)25-22(27)18-8-10-20(11-9-18)30-21-12-15-26(16-13-21)23(28)19-6-7-19/h8-11,17,19,21,29H,4-7,12-16H2,1-3H3,(H,25,27)/t17-/m1/s1
InChIKeyGMDKSMQBBACPJY-QGZVFWFLSA-N
MW416.56 g/mol
LogP3.53
Rot. Bonds9

About 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-6-hydroxy-6-methylheptan-2-yl]benzamide

4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-6-hydroxy-6-methylheptan-2-yl]benzamide (PubChem CID 42305765) has the molecular formula C24H36N2O4 and a molecular weight of 416.56 g/mol. Its IUPAC name is 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-6-hydroxy-6-methylheptan-2-yl]benzamide.

Molecular Properties

Compound Name4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-6-hydroxy-6-methylheptan-2-yl]benzamide
PubChem CID42305765
Molecular FormulaC24H36N2O4
Molecular Weight416.56 g/mol
Exact Mass416.27
IUPAC Name4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-6-hydroxy-6-methylheptan-2-yl]benzamide
SMILESC[C@H](CCCC(C)(C)O)NC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C24H36N2O4/c1-17(5-4-14-24(2,3)29)25-22(27)18-8-10-20(11-9-18)30-21-12-15-26(16-13-21)23(28)19-6-7-19/h8-11,17,19,21,29H,4-7,12-16H2,1-3H3,(H,25,27)/t17-/m1/s1
InChIKeyGMDKSMQBBACPJY-QGZVFWFLSA-N
XLogP3.53
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.56
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylethyl)benzamide
CID 45216516
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide
CID 42508142
ethyl 4-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]amino]piperidine-1-carboxylate
CID 25378335
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide
CID 25395722
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide
CID 42241527
N-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide
CID 30920617
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 30921211
3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)benzamide
CID 45182476
2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-5-methoxybenzamide
CID 42384099
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 72844969

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-6-hydroxy-6-methylheptan-2-yl]benzamide?
The IUPAC name of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-6-hydroxy-6-methylheptan-2-yl]benzamide (CID 42305765) is 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-6-hydroxy-6-methylheptan-2-yl]benzamide.
What is the SMILES notation for 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-6-hydroxy-6-methylheptan-2-yl]benzamide?
The canonical SMILES for 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-6-hydroxy-6-methylheptan-2-yl]benzamide is C[C@H](CCCC(C)(C)O)NC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1.
What is the InChIKey of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-6-hydroxy-6-methylheptan-2-yl]benzamide?
The InChIKey is GMDKSMQBBACPJY-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H36N2O4/c1-17(5-4-14-24(2,3)29)25-22(27)18-8-10-20(11-9-18)30-21-12-15-26(16-13-21)23(28)19-6-7-19/h8-11,17,19,21,29H,4-7,12-16H2,1-3H3,(H,25,27)/t17-/m1/s1.
What are the key properties of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-6-hydroxy-6-methylheptan-2-yl]benzamide?
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-6-hydroxy-6-methylheptan-2-yl]benzamide has a molecular weight of 416.56 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-6-hydroxy-6-methylheptan-2-yl]benzamide is sourced from PubChem (CID 42305765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).