[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-(4-chlorophenyl)methanone

C22H29ClN2O2 — CID 120987051

IUPAC[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-(4-chlorophenyl)methanone
SMILESNC1C2CCCC1CC(C(=O)N1CCC(C(=O)c3ccc(Cl)cc3)CC1)C2
InChIInChI=1S/C22H29ClN2O2/c23-19-6-4-14(5-7-19)21(26)15-8-10-25(11-9-15)22(27)18-12-16-2-1-3-17(13-18)20(16)24/h4-7,15-18,20H,1-3,8-13,24H2
InChIKeyBUGJMTBDFHEQKY-UHFFFAOYSA-N
MW388.94 g/mol
LogP3.91
Rot. Bonds3

About [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-(4-chlorophenyl)methanone

[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-(4-chlorophenyl)methanone (PubChem CID 120987051) has the molecular formula C22H29ClN2O2 and a molecular weight of 388.94 g/mol. Its IUPAC name is [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-(4-chlorophenyl)methanone
PubChem CID120987051
Molecular FormulaC22H29ClN2O2
Molecular Weight388.94 g/mol
Exact Mass388.19
IUPAC Name[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-(4-chlorophenyl)methanone
SMILESNC1C2CCCC1CC(C(=O)N1CCC(C(=O)c3ccc(Cl)cc3)CC1)C2
InChIInChI=1S/C22H29ClN2O2/c23-19-6-4-14(5-7-19)21(26)15-8-10-25(11-9-15)22(27)18-12-16-2-1-3-17(13-18)20(16)24/h4-7,15-18,20H,1-3,8-13,24H2
InChIKeyBUGJMTBDFHEQKY-UHFFFAOYSA-N
XLogP3.91
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-(4-chlorophenyl)methanone with MolForge

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Related Compounds

[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 120984529
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone
CID 120983574
(4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride
CID 160738469
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride
CID 120983573
(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 120989635
(3-aminocyclobutyl)-(4-chlorophenyl)methanone
CID 116917659
(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 120986770
1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-benzylpiperidine-4-carboxamide
CID 120984003
(9-amino-3-bicyclo[3.3.1]nonanyl)-(4-ethylpiperidin-1-yl)methanone
CID 120986818
(2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119289954
ethyl 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidine-4-carboxylate
CID 120983615
4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 102558711

Frequently Asked Questions

What is the IUPAC name of [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-(4-chlorophenyl)methanone (CID 120987051) is [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-(4-chlorophenyl)methanone is NC1C2CCCC1CC(C(=O)N1CCC(C(=O)c3ccc(Cl)cc3)CC1)C2.
What is the InChIKey of [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-(4-chlorophenyl)methanone?
The InChIKey is BUGJMTBDFHEQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O2/c23-19-6-4-14(5-7-19)21(26)15-8-10-25(11-9-15)22(27)18-12-16-2-1-3-17(13-18)20(16)24/h4-7,15-18,20H,1-3,8-13,24H2.
What are the key properties of [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-(4-chlorophenyl)methanone?
[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-(4-chlorophenyl)methanone has a molecular weight of 388.94 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 120987051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).