(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone

C19H27N3O2S — CID 120986770

IUPAC(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
SMILESNC1C2CCCC1CC(C(=O)N1CCN(C(=O)c3ccsc3)CC1)C2
InChIInChI=1S/C19H27N3O2S/c20-17-13-2-1-3-14(17)11-16(10-13)19(24)22-7-5-21(6-8-22)18(23)15-4-9-25-12-15/h4,9,12-14,16-17H,1-3,5-8,10-11,20H2
InChIKeyBFSONCMBLGMYJZ-UHFFFAOYSA-N
MW361.51 g/mol
LogP2.19
Rot. Bonds2

About (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone

(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 120986770) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
PubChem CID120986770
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
SMILESNC1C2CCCC1CC(C(=O)N1CCN(C(=O)c3ccsc3)CC1)C2
InChIInChI=1S/C19H27N3O2S/c20-17-13-2-1-3-14(17)11-16(10-13)19(24)22-7-5-21(6-8-22)18(23)15-4-9-25-12-15/h4,9,12-14,16-17H,1-3,5-8,10-11,20H2
InChIKeyBFSONCMBLGMYJZ-UHFFFAOYSA-N
XLogP2.19
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 119738835
N-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide;hydrochloride
CID 120987409
(3-aminocyclopentyl)-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 119738833
(2-aminocyclopentyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 64823608
(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone
CID 120985092
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone
CID 120983574
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride
CID 120983573
(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 120986529
[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 120984529
[(2S)-pyrrolidin-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119298898
(4-aminooxolan-3-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 66238264
(4-piperidin-1-ylsulfonylpiperidin-1-yl)-thiophen-3-ylmethanone
CID 138024622

Frequently Asked Questions

What is the IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone (CID 120986770) is (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone is NC1C2CCCC1CC(C(=O)N1CCN(C(=O)c3ccsc3)CC1)C2.
What is the InChIKey of (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is BFSONCMBLGMYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c20-17-13-2-1-3-14(17)11-16(10-13)19(24)22-7-5-21(6-8-22)18(23)15-4-9-25-12-15/h4,9,12-14,16-17H,1-3,5-8,10-11,20H2.
What are the key properties of (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone?
(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 361.51 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120986770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).