ethyl N-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]carbamate

C18H25N3O4 — CID 46411072

IUPACethyl N-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]carbamate
SMILESCCOC(=O)NNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C18H25N3O4/c1-2-25-18(24)20-19-17(23)15-10-12-21(13-11-15)16(22)9-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,19,23)(H,20,24)
InChIKeyHDNYZHGILAQWBY-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.64
Rot. Bonds5

About ethyl N-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]carbamate

ethyl N-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]carbamate (PubChem CID 46411072) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is ethyl N-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]carbamate.

Molecular Properties

Compound Nameethyl N-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]carbamate
PubChem CID46411072
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Nameethyl N-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]carbamate
SMILESCCOC(=O)NNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C18H25N3O4/c1-2-25-18(24)20-19-17(23)15-10-12-21(13-11-15)16(22)9-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,19,23)(H,20,24)
InChIKeyHDNYZHGILAQWBY-UHFFFAOYSA-N
XLogP1.64
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050
N'-[2-(4-chlorophenyl)acetyl]-1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 46411290
ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate
CID 108566087
3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177469
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 113006134
1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 6930824
ethyl 1-[3-[4-(2-phenylethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate
CID 126256730
2-methylpropyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 91728658
N-(4-methyl-2-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46411285
N-[2-(methylamino)propyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide;hydrochloride
CID 120832856

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]carbamate?
The IUPAC name of ethyl N-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]carbamate (CID 46411072) is ethyl N-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]carbamate.
What is the SMILES notation for ethyl N-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]carbamate?
The canonical SMILES for ethyl N-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]carbamate is CCOC(=O)NNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of ethyl N-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]carbamate?
The InChIKey is HDNYZHGILAQWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-2-25-18(24)20-19-17(23)15-10-12-21(13-11-15)16(22)9-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,19,23)(H,20,24).
What are the key properties of ethyl N-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]carbamate?
ethyl N-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]carbamate has a molecular weight of 347.42 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]carbamate is sourced from PubChem (CID 46411072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).