1-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one

C19H31N3O2 — CID 120989169

IUPAC1-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
SMILESNC1C2CCCC1CC(C(=O)N1CCC(N3CCCC3=O)CC1)C2
InChIInChI=1S/C19H31N3O2/c20-18-13-3-1-4-14(18)12-15(11-13)19(24)21-9-6-16(7-10-21)22-8-2-5-17(22)23/h13-16,18H,1-12,20H2
InChIKeyIDAKQGFNCKERAU-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.75
Rot. Bonds2

About 1-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one

1-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 120989169) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID120989169
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
SMILESNC1C2CCCC1CC(C(=O)N1CCC(N3CCCC3=O)CC1)C2
InChIInChI=1S/C19H31N3O2/c20-18-13-3-1-4-14(18)12-15(11-13)19(24)21-9-6-16(7-10-21)22-8-2-5-17(22)23/h13-16,18H,1-12,20H2
InChIKeyIDAKQGFNCKERAU-UHFFFAOYSA-N
XLogP1.75
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
4-(2-oxopyrrolidin-1-yl)azepane-1-carboxamide
CID 146082370
(9-amino-3-bicyclo[3.3.1]nonanyl)-(4-ethylpiperidin-1-yl)methanone
CID 120986818
(9-amino-3-bicyclo[3.3.1]nonanyl)-morpholin-4-ylmethanone;hydrochloride
CID 120983451
[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 120984529
ethyl 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidine-4-carboxylate
CID 120983615
3-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 120988636
(9-amino-3-bicyclo[3.3.1]nonanyl)-(4-ethylsulfonylpiperazin-1-yl)methanone;hydrochloride
CID 120988116
5-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 120991384
1-[4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 120985208
[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 120987051

Frequently Asked Questions

What is the IUPAC name of 1-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one (CID 120989169) is 1-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one is NC1C2CCCC1CC(C(=O)N1CCC(N3CCCC3=O)CC1)C2.
What is the InChIKey of 1-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is IDAKQGFNCKERAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c20-18-13-3-1-4-14(18)12-15(11-13)19(24)21-9-6-16(7-10-21)22-8-2-5-17(22)23/h13-16,18H,1-12,20H2.
What are the key properties of 1-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
1-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 333.48 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 120989169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).