(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone

C19H28N4O — CID 119903322

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
SMILESCC(c1cccnc1)N1CCN(C(=O)C2C3CCC(C3)C2N)CC1
InChIInChI=1S/C19H28N4O/c1-13(16-3-2-6-21-12-16)22-7-9-23(10-8-22)19(24)17-14-4-5-15(11-14)18(17)20/h2-3,6,12-15,17-18H,4-5,7-11,20H2,1H3
InChIKeyFQYGJYBYLNMXRB-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.66
Rot. Bonds3

About (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone

(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone (PubChem CID 119903322) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
PubChem CID119903322
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
SMILESCC(c1cccnc1)N1CCN(C(=O)C2C3CCC(C3)C2N)CC1
InChIInChI=1S/C19H28N4O/c1-13(16-3-2-6-21-12-16)22-7-9-23(10-8-22)19(24)17-14-4-5-15(11-14)18(17)20/h2-3,6,12-15,17-18H,4-5,7-11,20H2,1H3
InChIKeyFQYGJYBYLNMXRB-UHFFFAOYSA-N
XLogP1.66
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

3-amino-N-[(1S)-1-pyridin-3-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 81404200
2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one
CID 87038067
[4-(1-pyridin-3-ylethyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 122081611
(1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903305
1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 4272805
(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
CID 124512132
furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
CID 60548232
(3-aminophenyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903343
(1-aminocyclohexyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903354
4-[4-(1-pyridin-3-ylethyl)piperazine-1-carbonyl]benzonitrile
CID 56790884
N-(2-propan-2-ylcyclohexyl)-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide
CID 86953620
(4-chloro-2-pyridinyl)-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]methanone
CID 95628023

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone (CID 119903322) is (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone is CC(c1cccnc1)N1CCN(C(=O)C2C3CCC(C3)C2N)CC1.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone?
The InChIKey is FQYGJYBYLNMXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-13(16-3-2-6-21-12-16)22-7-9-23(10-8-22)19(24)17-14-4-5-15(11-14)18(17)20/h2-3,6,12-15,17-18H,4-5,7-11,20H2,1H3.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone?
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone has a molecular weight of 328.46 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 119903322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).