5-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione

C19H30N4O3 — CID 120991384

IUPAC5-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCC1(C2CCN(C(=O)C3CC4CCCC(C3)C4N)CC2)NC(=O)NC1=O
InChIInChI=1S/C19H30N4O3/c1-19(17(25)21-18(26)22-19)14-5-7-23(8-6-14)16(24)13-9-11-3-2-4-12(10-13)15(11)20/h11-15H,2-10,20H2,1H3,(H2,21,22,25,26)
InChIKeyCXMFXPANXXBXIP-UHFFFAOYSA-N
MW362.47 g/mol
LogP0.98
Rot. Bonds2

About 5-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione

5-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 120991384) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 5-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
PubChem CID120991384
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name5-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCC1(C2CCN(C(=O)C3CC4CCCC(C3)C4N)CC2)NC(=O)NC1=O
InChIInChI=1S/C19H30N4O3/c1-19(17(25)21-18(26)22-19)14-5-7-23(8-6-14)16(24)13-9-11-3-2-4-12(10-13)15(11)20/h11-15H,2-10,20H2,1H3,(H2,21,22,25,26)
InChIKeyCXMFXPANXXBXIP-UHFFFAOYSA-N
XLogP0.98
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(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-ethylpiperidin-1-yl)methanone
CID 120986818
ethyl 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidine-4-carboxylate
CID 120983615
(9-amino-3-bicyclo[3.3.1]nonanyl)-morpholin-4-ylmethanone;hydrochloride
CID 120983451
2,2-dimethyl-1-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 138033204
1-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 120989169
5-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 119809903
(9-amino-3-bicyclo[3.3.1]nonanyl)-(4-ethylsulfonylpiperazin-1-yl)methanone;hydrochloride
CID 120988116
3-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 120988636
[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 120984529
1-[4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperazin-1-yl]-2-cyclohexylethanone
CID 120988358

Frequently Asked Questions

What is the IUPAC name of 5-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione (CID 120991384) is 5-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione is CC1(C2CCN(C(=O)C3CC4CCCC(C3)C4N)CC2)NC(=O)NC1=O.
What is the InChIKey of 5-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is CXMFXPANXXBXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-19(17(25)21-18(26)22-19)14-5-7-23(8-6-14)16(24)13-9-11-3-2-4-12(10-13)15(11)20/h11-15H,2-10,20H2,1H3,(H2,21,22,25,26).
What are the key properties of 5-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
5-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 362.47 g/mol, XLogP of 0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 120991384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).