N-(cyclohexen-1-yl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide

C16H28N2O2 — CID 60969833

IUPACN-(cyclohexen-1-yl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCC(CO)CC1)C1=CCCCC1
InChIInChI=1S/C16H28N2O2/c1-2-18(15-6-4-3-5-7-15)16(20)12-17-10-8-14(13-19)9-11-17/h6,14,19H,2-5,7-13H2,1H3
InChIKeyNEQYOEVDJBNRQB-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.00
Rot. Bonds5

About N-(cyclohexen-1-yl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide

N-(cyclohexen-1-yl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide (PubChem CID 60969833) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
PubChem CID60969833
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-(cyclohexen-1-yl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCC(CO)CC1)C1=CCCCC1
InChIInChI=1S/C16H28N2O2/c1-2-18(15-6-4-3-5-7-15)16(20)12-17-10-8-14(13-19)9-11-17/h6,14,19H,2-5,7-13H2,1H3
InChIKeyNEQYOEVDJBNRQB-UHFFFAOYSA-N
XLogP2.00
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide (CID 60969833) is N-(cyclohexen-1-yl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide is CCN(C(=O)CN1CCC(CO)CC1)C1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-yl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
The InChIKey is NEQYOEVDJBNRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-18(15-6-4-3-5-7-15)16(20)12-17-10-8-14(13-19)9-11-17/h6,14,19H,2-5,7-13H2,1H3.
What are the key properties of N-(cyclohexen-1-yl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
N-(cyclohexen-1-yl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide has a molecular weight of 280.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 60969833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).