N-[2-[4-(cyclohexa-2,4-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide

C16H26N2O — CID 70286674

IUPACN-[2-[4-(cyclohexa-2,4-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCC(CC2C=CC=CC2)CC1
InChIInChI=1S/C16H26N2O/c1-14(19)17-9-12-18-10-7-16(8-11-18)13-15-5-3-2-4-6-15/h2-5,15-16H,6-13H2,1H3,(H,17,19)
InChIKeyWJITYHROBHHHJB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.36
Rot. Bonds5

About N-[2-[4-(cyclohexa-2,4-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide

N-[2-[4-(cyclohexa-2,4-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide (PubChem CID 70286674) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[2-[4-(cyclohexa-2,4-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(cyclohexa-2,4-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide
PubChem CID70286674
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[2-[4-(cyclohexa-2,4-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCC(CC2C=CC=CC2)CC1
InChIInChI=1S/C16H26N2O/c1-14(19)17-9-12-18-10-7-16(8-11-18)13-15-5-3-2-4-6-15/h2-5,15-16H,6-13H2,1H3,(H,17,19)
InChIKeyWJITYHROBHHHJB-UHFFFAOYSA-N
XLogP2.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclohexa-2,4-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(cyclohexa-2,4-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide (CID 70286674) is N-[2-[4-(cyclohexa-2,4-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(cyclohexa-2,4-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(cyclohexa-2,4-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCC(CC2C=CC=CC2)CC1.
What is the InChIKey of N-[2-[4-(cyclohexa-2,4-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide?
The InChIKey is WJITYHROBHHHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14(19)17-9-12-18-10-7-16(8-11-18)13-15-5-3-2-4-6-15/h2-5,15-16H,6-13H2,1H3,(H,17,19).
What are the key properties of N-[2-[4-(cyclohexa-2,4-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide?
N-[2-[4-(cyclohexa-2,4-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide has a molecular weight of 262.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclohexa-2,4-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 70286674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).