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

C27H35N3O5 — CID 3613076

IUPACethyl 1-[3-[(3-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCN(CCc2ccccc2)C(=O)Nc2cccc(OC)c2)C1
InChIInChI=1S/C27H35N3O5/c1-3-35-26(32)22-11-8-16-30(20-22)25(31)15-18-29(17-14-21-9-5-4-6-10-21)27(33)28-23-12-7-13-24(19-23)34-2/h4-7,9-10,12-13,19,22H,3,8,11,14-18,20H2,1-2H3,(H,28,33)
InChIKeyKCUAGFFRZMFGQJ-UHFFFAOYSA-N
MW481.59 g/mol
LogP3.96
Rot. Bonds10

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

ethyl 1-[3-[(3-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-3-carboxylate (PubChem CID 3613076) has the molecular formula C27H35N3O5 and a molecular weight of 481.59 g/mol. Its IUPAC name is ethyl 1-[3-[(3-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[(3-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-3-carboxylate
PubChem CID3613076
Molecular FormulaC27H35N3O5
Molecular Weight481.59 g/mol
Exact Mass481.26
IUPAC Nameethyl 1-[3-[(3-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCN(CCc2ccccc2)C(=O)Nc2cccc(OC)c2)C1
InChIInChI=1S/C27H35N3O5/c1-3-35-26(32)22-11-8-16-30(20-22)25(31)15-18-29(17-14-21-9-5-4-6-10-21)27(33)28-23-12-7-13-24(19-23)34-2/h4-7,9-10,12-13,19,22H,3,8,11,14-18,20H2,1-2H3,(H,28,33)
InChIKeyKCUAGFFRZMFGQJ-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-[(4-bromophenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-3-carboxylate
CID 42700160
ethyl 1-[3-[butyl-[(3-cyanophenyl)carbamoyl]amino]propanoyl]piperidine-3-carboxylate
CID 42698680
ethyl 1-[3-[(2-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate
CID 42700153
ethyl 1-[3-[(4-chlorophenyl)carbamoyl-propylamino]propanoyl]piperidine-3-carboxylate
CID 42698716
ethyl 1-[3-[benzyl-[(3-methylphenyl)carbamoyl]amino]propanoyl]piperidine-4-carboxylate
CID 42699516
ethyl 1-[3-[benzoyl(propyl)amino]propanoyl]piperidine-3-carboxylate
CID 42698854
ethyl 1-[1-[(3-methoxyphenyl)carbamoyl]-5-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate
CID 42865473
ethyl 1-[3-[(2,4-difluorophenyl)carbamoyl-propylamino]propanoyl]piperidine-3-carboxylate
CID 42698720
ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 51664598
ethyl 1-[3-[benzyl-(2,5-dimethylfuran-3-carbonyl)amino]propanoyl]piperidine-3-carboxylate
CID 4153618
ethyl (3S)-1-[2-[4-[benzyl-(3-methoxybenzoyl)amino]phenyl]acetyl]piperidine-3-carboxylate
CID 93291351
ethyl 1-[3-[butanoyl(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate
CID 42699660

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[(3-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[3-[(3-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-3-carboxylate (CID 3613076) is ethyl 1-[3-[(3-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-[(3-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[3-[(3-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CCN(CCc2ccccc2)C(=O)Nc2cccc(OC)c2)C1.
What is the InChIKey of ethyl 1-[3-[(3-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-3-carboxylate?
The InChIKey is KCUAGFFRZMFGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O5/c1-3-35-26(32)22-11-8-16-30(20-22)25(31)15-18-29(17-14-21-9-5-4-6-10-21)27(33)28-23-12-7-13-24(19-23)34-2/h4-7,9-10,12-13,19,22H,3,8,11,14-18,20H2,1-2H3,(H,28,33).
What are the key properties of ethyl 1-[3-[(3-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-3-carboxylate?
ethyl 1-[3-[(3-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-3-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-[(3-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 3613076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).