N-cyclohexa-1,3-dien-1-yl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

C22H30N2O — CID 91284691

IUPACN-cyclohexa-1,3-dien-1-yl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(C1=CC=CCC1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H30N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-7,9-11,21H,2,8,12-18H2,1H3
InChIKeyYRSCHKFKFRVQJX-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.17
Rot. Bonds6

About N-cyclohexa-1,3-dien-1-yl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

N-cyclohexa-1,3-dien-1-yl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (PubChem CID 91284691) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
PubChem CID91284691
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC NameN-cyclohexa-1,3-dien-1-yl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(C1=CC=CCC1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H30N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-7,9-11,21H,2,8,12-18H2,1H3
InChIKeyYRSCHKFKFRVQJX-UHFFFAOYSA-N
XLogP4.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (CID 91284691) is N-cyclohexa-1,3-dien-1-yl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is CCC(=O)N(C1=CC=CCC1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The InChIKey is YRSCHKFKFRVQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-7,9-11,21H,2,8,12-18H2,1H3.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
N-cyclohexa-1,3-dien-1-yl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide has a molecular weight of 338.50 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 91284691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).