N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide

C19H32N2O3 — CID 56501603

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
SMILESCC(NC(=O)CN1CCCCC1C1OCCO1)C1CC2CCC1C2
InChIInChI=1S/C19H32N2O3/c1-13(16-11-14-5-6-15(16)10-14)20-18(22)12-21-7-3-2-4-17(21)19-23-8-9-24-19/h13-17,19H,2-12H2,1H3,(H,20,22)
InChIKeyRYBHJPAQGUBGQD-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.15
Rot. Bonds5

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide (PubChem CID 56501603) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
PubChem CID56501603
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
SMILESCC(NC(=O)CN1CCCCC1C1OCCO1)C1CC2CCC1C2
InChIInChI=1S/C19H32N2O3/c1-13(16-11-14-5-6-15(16)10-14)20-18(22)12-21-7-3-2-4-17(21)19-23-8-9-24-19/h13-17,19H,2-12H2,1H3,(H,20,22)
InChIKeyRYBHJPAQGUBGQD-UHFFFAOYSA-N
XLogP2.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylacetamide
CID 6981850
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylacetamide
CID 98219029
N-[1-(4-chlorophenyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 56501329
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 98124247
1-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79323893
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111113999
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 129377497
[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 78765721
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide
CID 3500052
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137773
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbutanamide
CID 98233114

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide (CID 56501603) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide is CC(NC(=O)CN1CCCCC1C1OCCO1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide?
The InChIKey is RYBHJPAQGUBGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-13(16-11-14-5-6-15(16)10-14)20-18(22)12-21-7-3-2-4-17(21)19-23-8-9-24-19/h13-17,19H,2-12H2,1H3,(H,20,22).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide has a molecular weight of 336.48 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 56501603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).