ethyl 1-[3-[(2-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate

C27H35N3O5 — CID 42700153

IUPACethyl 1-[3-[(2-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCN(CCc2ccccc2)C(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C27H35N3O5/c1-3-35-26(32)22-14-18-29(19-15-22)25(31)16-20-30(17-13-21-9-5-4-6-10-21)27(33)28-23-11-7-8-12-24(23)34-2/h4-12,22H,3,13-20H2,1-2H3,(H,28,33)
InChIKeyKADLBFSYDAJWHU-UHFFFAOYSA-N
MW481.59 g/mol
LogP3.96
Rot. Bonds10

About ethyl 1-[3-[(2-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate

ethyl 1-[3-[(2-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate (PubChem CID 42700153) has the molecular formula C27H35N3O5 and a molecular weight of 481.59 g/mol. Its IUPAC name is ethyl 1-[3-[(2-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[(2-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate
PubChem CID42700153
Molecular FormulaC27H35N3O5
Molecular Weight481.59 g/mol
Exact Mass481.26
IUPAC Nameethyl 1-[3-[(2-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCN(CCc2ccccc2)C(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C27H35N3O5/c1-3-35-26(32)22-14-18-29(19-15-22)25(31)16-20-30(17-13-21-9-5-4-6-10-21)27(33)28-23-11-7-8-12-24(23)34-2/h4-12,22H,3,13-20H2,1-2H3,(H,28,33)
InChIKeyKADLBFSYDAJWHU-UHFFFAOYSA-N
XLogP3.96
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[3-[butanoyl(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate
CID 42699660
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
ethyl 1-[3-[(3-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-3-carboxylate
CID 3613076
ethyl 1-[3-[benzyl-[(3-methylphenyl)carbamoyl]amino]propanoyl]piperidine-4-carboxylate
CID 42699516
ethyl 1-[3-[(4-bromophenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-3-carboxylate
CID 42700160
ethyl 3-[(2-methoxyphenyl)carbamoyl-propylamino]propanoate
CID 42697935
1-[5-(dipropylamino)-5-oxopentanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 56546135
3-(3-methylphenyl)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1-(2-phenylethyl)urea
CID 42699913
ethyl 3-[2-phenylethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]propanoate
CID 42697979
3-tert-butyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1-(2-phenylethyl)urea
CID 42699912
N-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide
CID 55653511
ethyl 1-[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111156073

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[(2-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-[(2-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate (CID 42700153) is ethyl 1-[3-[(2-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-[(2-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[(2-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCN(CCc2ccccc2)C(=O)Nc2ccccc2OC)CC1.
What is the InChIKey of ethyl 1-[3-[(2-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate?
The InChIKey is KADLBFSYDAJWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O5/c1-3-35-26(32)22-14-18-29(19-15-22)25(31)16-20-30(17-13-21-9-5-4-6-10-21)27(33)28-23-11-7-8-12-24(23)34-2/h4-12,22H,3,13-20H2,1-2H3,(H,28,33).
What are the key properties of ethyl 1-[3-[(2-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate?
ethyl 1-[3-[(2-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate has a molecular weight of 481.59 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[(2-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 42700153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).