ethyl 1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxylate

C21H29N3O4 — CID 24981764

IUPACethyl 1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C1
InChIInChI=1S/C21H29N3O4/c1-2-28-20(26)17-7-6-12-24(15-17)19(25)16-10-13-23(14-11-16)21(27)22-18-8-4-3-5-9-18/h3-5,8-9,16-17H,2,6-7,10-15H2,1H3,(H,22,27)
InChIKeyJOFISXHELCRPTD-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.73
Rot. Bonds4

About ethyl 1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxylate

ethyl 1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxylate (PubChem CID 24981764) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is ethyl 1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
PubChem CID24981764
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Nameethyl 1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C1
InChIInChI=1S/C21H29N3O4/c1-2-28-20(26)17-7-6-12-24(15-17)19(25)16-10-13-23(14-11-16)21(27)22-18-8-4-3-5-9-18/h3-5,8-9,16-17H,2,6-7,10-15H2,1H3,(H,22,27)
InChIKeyJOFISXHELCRPTD-UHFFFAOYSA-N
XLogP2.73
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 2973554
Ethyl 1-[3-(2-methylanilino)-3-oxopropyl]piperidine-3-carboxylate;hydrochloride
CID 2902741
1-p-Tolylcarbamoyl-piperidine-3-carboxylic acid
CID 3153620
Methyl 1-(anilinocarbonyl)-4-piperidinecarboxylate
CID 894806
Ethyl 1-{3-[(2-ethylbutanoyl)amino]benzoyl}-3-piperidinecarboxylate
CID 2963097
Ethyl 1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 2972598
N~3~,N~3~-diethyl-N~1~-phenyl-1,3-piperidinedicarboxamide
CID 2980403
1-(2-p-Tolylcarbamoyl-ethyl)-piperidine-3-carboxylic acid ethyl ester
CID 9549393
ethyl 1-(anilinocarbonyl)-4-(tetrahydro-2H-pyran-2-ylmethyl)-4-piperidinecarboxylate
CID 16190512
4-(3-methylpiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 4783299
Ethyl 4-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 9164934
Ethyl 4-({[4-({[4-(ethoxycarbonyl)piperidin-1-yl]carbonyl}amino)phenyl]amino}carbonyl)piperidine-1-carboxylate
CID 3240420

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxylate (CID 24981764) is ethyl 1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C1.
What is the InChIKey of ethyl 1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxylate?
The InChIKey is JOFISXHELCRPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-2-28-20(26)17-7-6-12-24(15-17)19(25)16-10-13-23(14-11-16)21(27)22-18-8-4-3-5-9-18/h3-5,8-9,16-17H,2,6-7,10-15H2,1H3,(H,22,27).
What are the key properties of ethyl 1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxylate?
ethyl 1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxylate has a molecular weight of 387.48 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 24981764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).