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

C20H29N3O3 — CID 139912462

IUPACethyl 1-[(4-phenylpiperidine-4-carbonyl)amino]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(NC(=O)C2(c3ccccc3)CCNCC2)C1
InChIInChI=1S/C20H29N3O3/c1-2-26-18(24)16-7-6-14-23(15-16)22-19(25)20(10-12-21-13-11-20)17-8-4-3-5-9-17/h3-5,8-9,16,21H,2,6-7,10-15H2,1H3,(H,22,25)
InChIKeyJXLLRUGHAIIBLX-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.61
Rot. Bonds5

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

ethyl 1-[(4-phenylpiperidine-4-carbonyl)amino]piperidine-3-carboxylate (PubChem CID 139912462) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is ethyl 1-[(4-phenylpiperidine-4-carbonyl)amino]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-phenylpiperidine-4-carbonyl)amino]piperidine-3-carboxylate
PubChem CID139912462
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Nameethyl 1-[(4-phenylpiperidine-4-carbonyl)amino]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(NC(=O)C2(c3ccccc3)CCNCC2)C1
InChIInChI=1S/C20H29N3O3/c1-2-26-18(24)16-7-6-14-23(15-16)22-19(25)20(10-12-21-13-11-20)17-8-4-3-5-9-17/h3-5,8-9,16,21H,2,6-7,10-15H2,1H3,(H,22,25)
InChIKeyJXLLRUGHAIIBLX-UHFFFAOYSA-N
XLogP1.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxylate
CID 55345276
N-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 103307088
ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 2940373
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
ethyl 1-(phenylsulfamoyl)piperidine-3-carboxylate
CID 64591199
ethyl 1-(2,3-dihydro-1-benzofuran-7-carbonylamino)piperidine-3-carboxylate
CID 56760661
ethyl N-[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]carbamate
CID 94825031
2-pyrrolidin-1-ylethyl 4-phenylpiperidine-4-carboxylate
CID 20511851
N-(2-ethylcyclopropyl)-4-phenylpiperidine-4-carboxamide
CID 103796857
ethyl (3S)-1-(2,6-dimethylbenzoyl)piperidine-3-carboxylate
CID 103783546
ethyl 1-(4-aminonaphthalen-1-yl)piperidine-3-carboxylate
CID 118952705
ethyl 1-(2-phenylbutanoyl)piperidine-3-carboxylate
CID 3273147

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-phenylpiperidine-4-carbonyl)amino]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(4-phenylpiperidine-4-carbonyl)amino]piperidine-3-carboxylate (CID 139912462) is ethyl 1-[(4-phenylpiperidine-4-carbonyl)amino]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(4-phenylpiperidine-4-carbonyl)amino]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(4-phenylpiperidine-4-carbonyl)amino]piperidine-3-carboxylate is CCOC(=O)C1CCCN(NC(=O)C2(c3ccccc3)CCNCC2)C1.
What is the InChIKey of ethyl 1-[(4-phenylpiperidine-4-carbonyl)amino]piperidine-3-carboxylate?
The InChIKey is JXLLRUGHAIIBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-2-26-18(24)16-7-6-14-23(15-16)22-19(25)20(10-12-21-13-11-20)17-8-4-3-5-9-17/h3-5,8-9,16,21H,2,6-7,10-15H2,1H3,(H,22,25).
What are the key properties of ethyl 1-[(4-phenylpiperidine-4-carbonyl)amino]piperidine-3-carboxylate?
ethyl 1-[(4-phenylpiperidine-4-carbonyl)amino]piperidine-3-carboxylate has a molecular weight of 359.47 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-phenylpiperidine-4-carbonyl)amino]piperidine-3-carboxylate is sourced from PubChem (CID 139912462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).