ethyl 4-[4-[(4-cyclohexylbenzoyl)amino]butanoylamino]piperidine-1-carboxylate

C25H37N3O4 — CID 39610234

IUPACethyl 4-[4-[(4-cyclohexylbenzoyl)amino]butanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C25H37N3O4/c1-2-32-25(31)28-17-14-22(15-18-28)27-23(29)9-6-16-26-24(30)21-12-10-20(11-13-21)19-7-4-3-5-8-19/h10-13,19,22H,2-9,14-18H2,1H3,(H,26,30)(H,27,29)
InChIKeySAFOTHQBJZPGNP-UHFFFAOYSA-N
MW443.59 g/mol
LogP3.98
Rot. Bonds8

About ethyl 4-[4-[(4-cyclohexylbenzoyl)amino]butanoylamino]piperidine-1-carboxylate

ethyl 4-[4-[(4-cyclohexylbenzoyl)amino]butanoylamino]piperidine-1-carboxylate (PubChem CID 39610234) has the molecular formula C25H37N3O4 and a molecular weight of 443.59 g/mol. Its IUPAC name is ethyl 4-[4-[(4-cyclohexylbenzoyl)amino]butanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-[(4-cyclohexylbenzoyl)amino]butanoylamino]piperidine-1-carboxylate
PubChem CID39610234
Molecular FormulaC25H37N3O4
Molecular Weight443.59 g/mol
Exact Mass443.28
IUPAC Nameethyl 4-[4-[(4-cyclohexylbenzoyl)amino]butanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C25H37N3O4/c1-2-32-25(31)28-17-14-22(15-18-28)27-23(29)9-6-16-26-24(30)21-12-10-20(11-13-21)19-7-4-3-5-8-19/h10-13,19,22H,2-9,14-18H2,1H3,(H,26,30)(H,27,29)
InChIKeySAFOTHQBJZPGNP-UHFFFAOYSA-N
XLogP3.98
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[4-[(4-nitrobenzoyl)amino]butanoylamino]piperidine-1-carboxylate
CID 39611721
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[4-[(2,4-dimethylbenzoyl)amino]butanoylamino]piperidine-1-carboxylate
CID 39611649
ethyl 4-[4-[(4-butoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate
CID 39611533
ethyl 4-[4-[(2-benzamidobenzoyl)amino]butanoylamino]piperidine-1-carboxylate
CID 39610496
ethyl 4-[4-[(4-hexoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate
CID 39611540
N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]benzamide
CID 46463757
ethyl 4-[4-(3-phenylpropanoylamino)butanoylamino]piperidine-1-carboxylate
CID 39611703
ethyl 4-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]piperidine-1-carboxylate
CID 31843166
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
ethyl 2-[(4-cyclohexylbenzoyl)amino]acetate
CID 60547206

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[(4-cyclohexylbenzoyl)amino]butanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-[(4-cyclohexylbenzoyl)amino]butanoylamino]piperidine-1-carboxylate (CID 39610234) is ethyl 4-[4-[(4-cyclohexylbenzoyl)amino]butanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-[(4-cyclohexylbenzoyl)amino]butanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-[(4-cyclohexylbenzoyl)amino]butanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2ccc(C3CCCCC3)cc2)CC1.
What is the InChIKey of ethyl 4-[4-[(4-cyclohexylbenzoyl)amino]butanoylamino]piperidine-1-carboxylate?
The InChIKey is SAFOTHQBJZPGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O4/c1-2-32-25(31)28-17-14-22(15-18-28)27-23(29)9-6-16-26-24(30)21-12-10-20(11-13-21)19-7-4-3-5-8-19/h10-13,19,22H,2-9,14-18H2,1H3,(H,26,30)(H,27,29).
What are the key properties of ethyl 4-[4-[(4-cyclohexylbenzoyl)amino]butanoylamino]piperidine-1-carboxylate?
ethyl 4-[4-[(4-cyclohexylbenzoyl)amino]butanoylamino]piperidine-1-carboxylate has a molecular weight of 443.59 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[(4-cyclohexylbenzoyl)amino]butanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 39610234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).