N-methyl-N-(2-piperazin-1-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

C16H27N3O — CID 103806598

IUPACN-methyl-N-(2-piperazin-1-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCN(CCN1CCNCC1)C(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C16H27N3O/c1-18(8-9-19-6-4-17-5-7-19)16(20)15-13-11-2-3-12(10-11)14(13)15/h11-15,17H,2-10H2,1H3
InChIKeyOZWPUMVBBZTRKF-UHFFFAOYSA-N
MW277.41 g/mol
LogP0.64
Rot. Bonds4

About N-methyl-N-(2-piperazin-1-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

N-methyl-N-(2-piperazin-1-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 103806598) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-methyl-N-(2-piperazin-1-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-piperazin-1-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID103806598
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-methyl-N-(2-piperazin-1-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCN(CCN1CCNCC1)C(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C16H27N3O/c1-18(8-9-19-6-4-17-5-7-19)16(20)15-13-11-2-3-12(10-11)14(13)15/h11-15,17H,2-10H2,1H3
InChIKeyOZWPUMVBBZTRKF-UHFFFAOYSA-N
XLogP0.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-piperazin-1-ylethyl)oxolane-3-carboxamide
CID 63265616
(2S)-N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide
CID 104856250
N,5-dimethyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide
CID 81331120
N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide
CID 63265290
N,2-dimethyl-N-(2-piperazin-1-ylethyl)propanamide
CID 63265503
N-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide
CID 79161541
(2S)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide
CID 95031613
N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265460
N-methyl-2-oxo-2-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 63209113
N-methyl-N-(2-piperazin-1-ylethyl)hex-5-ynamide
CID 90191014
N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 63265506
2,3-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 114345025

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 103806598) is N-methyl-N-(2-piperazin-1-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-piperazin-1-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-piperazin-1-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is CN(CCN1CCNCC1)C(=O)C1C2C3CCC(C3)C12.
What is the InChIKey of N-methyl-N-(2-piperazin-1-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is OZWPUMVBBZTRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-18(8-9-19-6-4-17-5-7-19)16(20)15-13-11-2-3-12(10-11)14(13)15/h11-15,17H,2-10H2,1H3.
What are the key properties of N-methyl-N-(2-piperazin-1-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
N-methyl-N-(2-piperazin-1-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-piperazin-1-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 103806598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).