N-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-N-[1-[1-(2-phenylethyl)piperidin-3-yl]ethyl]propanamide

C25H34N2O — CID 142145889

IUPACN-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-N-[1-[1-(2-phenylethyl)piperidin-3-yl]ethyl]propanamide
SMILESCCC(=O)N(C(C)C1CCCN(CCc2ccccc2)C1)C12C=CC=CC1C2
InChIInChI=1S/C25H34N2O/c1-3-24(28)27(25-15-8-7-13-23(25)18-25)20(2)22-12-9-16-26(19-22)17-14-21-10-5-4-6-11-21/h4-8,10-11,13,15,20,22-23H,3,9,12,14,16-19H2,1-2H3
InChIKeyNMTGLCUDPGYRGY-UHFFFAOYSA-N
MW378.56 g/mol
LogP4.45
Rot. Bonds7

About N-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-N-[1-[1-(2-phenylethyl)piperidin-3-yl]ethyl]propanamide

N-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-N-[1-[1-(2-phenylethyl)piperidin-3-yl]ethyl]propanamide (PubChem CID 142145889) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is N-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-N-[1-[1-(2-phenylethyl)piperidin-3-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-N-[1-[1-(2-phenylethyl)piperidin-3-yl]ethyl]propanamide
PubChem CID142145889
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC NameN-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-N-[1-[1-(2-phenylethyl)piperidin-3-yl]ethyl]propanamide
SMILESCCC(=O)N(C(C)C1CCCN(CCc2ccccc2)C1)C12C=CC=CC1C2
InChIInChI=1S/C25H34N2O/c1-3-24(28)27(25-15-8-7-13-23(25)18-25)20(2)22-12-9-16-26(19-22)17-14-21-10-5-4-6-11-21/h4-8,10-11,13,15,20,22-23H,3,9,12,14,16-19H2,1-2H3
InChIKeyNMTGLCUDPGYRGY-UHFFFAOYSA-N
XLogP4.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide
CID 161150903
N-[(1R)-1-phenylethyl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide
CID 10271032
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
tert-butyl 3-(1-anilinoethyl)piperidine-1-carboxylate;tert-butyl 3-(1-hydroxyethyl)piperidine-1-carboxylate;N-phenyl-N-[1-[1-(2-phenylethyl)piperidin-3-yl]ethyl]propanamide;propanoyl chloride
CID 157319807
N-[(1R)-1-[(3R)-1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-3-yl]ethyl]-N-phenylpropanamide
CID 10199807
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
(E)-but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 6445104
1,1-diethoxyethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 166758697
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
N-phenyl-N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]propanamide
CID 3060235

Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-N-[1-[1-(2-phenylethyl)piperidin-3-yl]ethyl]propanamide?
The IUPAC name of N-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-N-[1-[1-(2-phenylethyl)piperidin-3-yl]ethyl]propanamide (CID 142145889) is N-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-N-[1-[1-(2-phenylethyl)piperidin-3-yl]ethyl]propanamide.
What is the SMILES notation for N-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-N-[1-[1-(2-phenylethyl)piperidin-3-yl]ethyl]propanamide?
The canonical SMILES for N-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-N-[1-[1-(2-phenylethyl)piperidin-3-yl]ethyl]propanamide is CCC(=O)N(C(C)C1CCCN(CCc2ccccc2)C1)C12C=CC=CC1C2.
What is the InChIKey of N-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-N-[1-[1-(2-phenylethyl)piperidin-3-yl]ethyl]propanamide?
The InChIKey is NMTGLCUDPGYRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O/c1-3-24(28)27(25-15-8-7-13-23(25)18-25)20(2)22-12-9-16-26(19-22)17-14-21-10-5-4-6-11-21/h4-8,10-11,13,15,20,22-23H,3,9,12,14,16-19H2,1-2H3.
What are the key properties of N-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-N-[1-[1-(2-phenylethyl)piperidin-3-yl]ethyl]propanamide?
N-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-N-[1-[1-(2-phenylethyl)piperidin-3-yl]ethyl]propanamide has a molecular weight of 378.56 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[4.1.0]hepta-2,4-dienyl)-N-[1-[1-(2-phenylethyl)piperidin-3-yl]ethyl]propanamide is sourced from PubChem (CID 142145889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).