[1-[2-[[7-[3-(dipropylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

C39H59N5O4 — CID 67005352

IUPAC[1-[2-[[7-[3-(dipropylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESCCCN(CCC)C(=O)C1CCCN(CCCCCC(=O)CNCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)C1
InChIInChI=1S/C39H59N5O4/c1-3-23-44(24-4-2)38(46)33-16-13-26-43(31-33)25-12-6-9-17-34(45)30-40-22-29-42-27-20-35(21-28-42)48-39(47)41-37-19-11-10-18-36(37)32-14-7-5-8-15-32/h5,7-8,10-11,14-15,18-19,33,35,40H,3-4,6,9,12-13,16-17,20-31H2,1-2H3,(H,41,47)
InChIKeyMMNAXFJIXLFTLJ-UHFFFAOYSA-N
MW661.93 g/mol
LogP6.45
Rot. Bonds19

About [1-[2-[[7-[3-(dipropylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-[2-[[7-[3-(dipropylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 67005352) has the molecular formula C39H59N5O4 and a molecular weight of 661.93 g/mol. Its IUPAC name is [1-[2-[[7-[3-(dipropylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[1-[2-[[7-[3-(dipropylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
PubChem CID67005352
Molecular FormulaC39H59N5O4
Molecular Weight661.93 g/mol
Exact Mass661.46
IUPAC Name[1-[2-[[7-[3-(dipropylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESCCCN(CCC)C(=O)C1CCCN(CCCCCC(=O)CNCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)C1
InChIInChI=1S/C39H59N5O4/c1-3-23-44(24-4-2)38(46)33-16-13-26-43(31-33)25-12-6-9-17-34(45)30-40-22-29-42-27-20-35(21-28-42)48-39(47)41-37-19-11-10-18-36(37)32-14-7-5-8-15-32/h5,7-8,10-11,14-15,18-19,33,35,40H,3-4,6,9,12-13,16-17,20-31H2,1-2H3,(H,41,47)
InChIKeyMMNAXFJIXLFTLJ-UHFFFAOYSA-N
XLogP6.45
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.93
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [1-[2-[[7-[3-(dipropylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[2-[[7-[(3R)-3-(ethylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 69484339
[1-[2-[6-[3-(dipropylcarbamoyl)piperidin-1-yl]hexanoyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 72788735
[1-[2-[[7-[4-(ethylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 67005501
[1-[2-[[2-[5-[[3-(diethylcarbamoyl)piperidin-1-yl]methyl]-1H-pyrrol-2-yl]-2-oxoethyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 66986036
[1-[2-[[2-[5-[[(3R)-3-(diethylcarbamoyl)piperidin-1-yl]methyl]furan-2-yl]-2-oxoethyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 66986108
(1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate;ethane;nonane
CID 158840532
[1-[7-[ethyl(methyl)amino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624927
[1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624951
[1-[8-(1,3-dioxoisoindol-2-yl)octyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 59838143
[1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 53325336
methyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate
CID 57459436
(1-methylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
CID 53318454

Frequently Asked Questions

What is the IUPAC name of [1-[2-[[7-[3-(dipropylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The IUPAC name of [1-[2-[[7-[3-(dipropylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 67005352) is [1-[2-[[7-[3-(dipropylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [1-[2-[[7-[3-(dipropylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The canonical SMILES for [1-[2-[[7-[3-(dipropylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is CCCN(CCC)C(=O)C1CCCN(CCCCCC(=O)CNCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)C1.
What is the InChIKey of [1-[2-[[7-[3-(dipropylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The InChIKey is MMNAXFJIXLFTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H59N5O4/c1-3-23-44(24-4-2)38(46)33-16-13-26-43(31-33)25-12-6-9-17-34(45)30-40-22-29-42-27-20-35(21-28-42)48-39(47)41-37-19-11-10-18-36(37)32-14-7-5-8-15-32/h5,7-8,10-11,14-15,18-19,33,35,40H,3-4,6,9,12-13,16-17,20-31H2,1-2H3,(H,41,47).
What are the key properties of [1-[2-[[7-[3-(dipropylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
[1-[2-[[7-[3-(dipropylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 661.93 g/mol, XLogP of 6.45, 19 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[[7-[3-(dipropylcarbamoyl)piperidin-1-yl]-2-oxoheptyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 67005352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).