N-[4-(methoxymethyl)-4-piperidin-1-ylcyclohexa-1,5-dien-1-yl]propanamide

C16H26N2O2 — CID 69329912

IUPACN-[4-(methoxymethyl)-4-piperidin-1-ylcyclohexa-1,5-dien-1-yl]propanamide
SMILESCCC(=O)NC1=CCC(COC)(N2CCCCC2)C=C1
InChIInChI=1S/C16H26N2O2/c1-3-15(19)17-14-7-9-16(10-8-14,13-20-2)18-11-5-4-6-12-18/h7-9H,3-6,10-13H2,1-2H3,(H,17,19)
InChIKeyAWNREGUAYVZWII-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.23
Rot. Bonds5

About N-[4-(methoxymethyl)-4-piperidin-1-ylcyclohexa-1,5-dien-1-yl]propanamide

N-[4-(methoxymethyl)-4-piperidin-1-ylcyclohexa-1,5-dien-1-yl]propanamide (PubChem CID 69329912) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[4-(methoxymethyl)-4-piperidin-1-ylcyclohexa-1,5-dien-1-yl]propanamide.

Molecular Properties

Compound NameN-[4-(methoxymethyl)-4-piperidin-1-ylcyclohexa-1,5-dien-1-yl]propanamide
PubChem CID69329912
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[4-(methoxymethyl)-4-piperidin-1-ylcyclohexa-1,5-dien-1-yl]propanamide
SMILESCCC(=O)NC1=CCC(COC)(N2CCCCC2)C=C1
InChIInChI=1S/C16H26N2O2/c1-3-15(19)17-14-7-9-16(10-8-14,13-20-2)18-11-5-4-6-12-18/h7-9H,3-6,10-13H2,1-2H3,(H,17,19)
InChIKeyAWNREGUAYVZWII-UHFFFAOYSA-N
XLogP2.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide
CID 71047338
Ethyl 4-amino-1-piperidin-1-ylcyclohexa-2,4-diene-1-carboxylate
CID 150896201

Frequently Asked Questions

What is the IUPAC name of N-[4-(methoxymethyl)-4-piperidin-1-ylcyclohexa-1,5-dien-1-yl]propanamide?
The IUPAC name of N-[4-(methoxymethyl)-4-piperidin-1-ylcyclohexa-1,5-dien-1-yl]propanamide (CID 69329912) is N-[4-(methoxymethyl)-4-piperidin-1-ylcyclohexa-1,5-dien-1-yl]propanamide.
What is the SMILES notation for N-[4-(methoxymethyl)-4-piperidin-1-ylcyclohexa-1,5-dien-1-yl]propanamide?
The canonical SMILES for N-[4-(methoxymethyl)-4-piperidin-1-ylcyclohexa-1,5-dien-1-yl]propanamide is CCC(=O)NC1=CCC(COC)(N2CCCCC2)C=C1.
What is the InChIKey of N-[4-(methoxymethyl)-4-piperidin-1-ylcyclohexa-1,5-dien-1-yl]propanamide?
The InChIKey is AWNREGUAYVZWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-15(19)17-14-7-9-16(10-8-14,13-20-2)18-11-5-4-6-12-18/h7-9H,3-6,10-13H2,1-2H3,(H,17,19).
What are the key properties of N-[4-(methoxymethyl)-4-piperidin-1-ylcyclohexa-1,5-dien-1-yl]propanamide?
N-[4-(methoxymethyl)-4-piperidin-1-ylcyclohexa-1,5-dien-1-yl]propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methoxymethyl)-4-piperidin-1-ylcyclohexa-1,5-dien-1-yl]propanamide is sourced from PubChem (CID 69329912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).