N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]benzamide

C23H33N3O3 — CID 46463757

IUPACN-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C23H33N3O3/c27-21(12-7-15-24-22(28)18-8-3-1-4-9-18)25-20-13-16-26(17-14-20)23(29)19-10-5-2-6-11-19/h1,3-4,8-9,19-20H,2,5-7,10-17H2,(H,24,28)(H,25,27)
InChIKeyCGFLSGGNYBDEDW-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.88
Rot. Bonds7

About N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]benzamide

N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]benzamide (PubChem CID 46463757) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]benzamide
PubChem CID46463757
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC NameN-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C23H33N3O3/c27-21(12-7-15-24-22(28)18-8-3-1-4-9-18)25-20-13-16-26(17-14-20)23(29)19-10-5-2-6-11-19/h1,3-4,8-9,19-20H,2,5-7,10-17H2,(H,24,28)(H,25,27)
InChIKeyCGFLSGGNYBDEDW-UHFFFAOYSA-N
XLogP2.88
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzamidoethyl)-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
CID 46104007
N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
CID 34423868
N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 55706617
ethyl 4-[4-[(4-cyclohexylbenzoyl)amino]butanoylamino]piperidine-1-carboxylate
CID 39610234
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-4-phenylbenzamide
CID 52898200
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 110801022
N-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 27673315
4-chloro-N-[4-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethylamino]-4-oxobutyl]benzamide
CID 86944721
ethyl 4-[4-[(2-benzamidobenzoyl)amino]butanoylamino]piperidine-1-carboxylate
CID 39610496
2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
CID 50988896
3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 46463549
4-(4-benzamidopiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 33308938

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]benzamide (CID 46463757) is N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]benzamide is O=C(CCCNC(=O)c1ccccc1)NC1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]benzamide?
The InChIKey is CGFLSGGNYBDEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c27-21(12-7-15-24-22(28)18-8-3-1-4-9-18)25-20-13-16-26(17-14-20)23(29)19-10-5-2-6-11-19/h1,3-4,8-9,19-20H,2,5-7,10-17H2,(H,24,28)(H,25,27).
What are the key properties of N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]benzamide?
N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]benzamide has a molecular weight of 399.54 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 46463757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).