3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide

C21H30N4O2 — CID 119872726

IUPAC3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H30N4O2/c22-20-17-7-6-16(12-17)19(20)21(27)23-13-18(26)25-10-8-24(9-11-25)14-15-4-2-1-3-5-15/h1-5,16-17,19-20H,6-14,22H2,(H,23,27)
InChIKeyWLGRDLFZXLQTKE-UHFFFAOYSA-N
MW370.50 g/mol
LogP0.82
Rot. Bonds5

About 3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119872726) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119872726
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H30N4O2/c22-20-17-7-6-16(12-17)19(20)21(27)23-13-18(26)25-10-8-24(9-11-25)14-15-4-2-1-3-5-15/h1-5,16-17,19-20H,6-14,22H2,(H,23,27)
InChIKeyWLGRDLFZXLQTKE-UHFFFAOYSA-N
XLogP0.82
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

3-amino-N-[(4-benzylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119829834
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
3-amino-N-[(4-benzylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119829833
2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-benzylacetamide
CID 119840168
1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119872708
1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride
CID 119826750
3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methylbutanamide
CID 120503600
(2R)-2-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]propanamide
CID 119872740
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119872735
(2R)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride
CID 119872711
methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate
CID 112993880
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119872726) is 3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is WLGRDLFZXLQTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c22-20-17-7-6-16(12-17)19(20)21(27)23-13-18(26)25-10-8-24(9-11-25)14-15-4-2-1-3-5-15/h1-5,16-17,19-20H,6-14,22H2,(H,23,27).
What are the key properties of 3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119872726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).