(1R,4S)-1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one

C16H26N2O2 — CID 882253

IUPAC(1R,4S)-1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
SMILESCN1CCN(C(=O)[C@@]23CC[C@@](C)(C(=O)C2)C3(C)C)CC1
InChIInChI=1S/C16H26N2O2/c1-14(2)15(3)5-6-16(14,11-12(15)19)13(20)18-9-7-17(4)8-10-18/h5-11H2,1-4H3/t15-,16+/m0/s1
InChIKeyZMBSZRAWHINMPB-JKSUJKDBSA-N
MW278.40 g/mol
LogP1.55
Rot. Bonds1

About (1R,4S)-1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one

(1R,4S)-1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one (PubChem CID 882253) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (1R,4S)-1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name(1R,4S)-1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
PubChem CID882253
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(1R,4S)-1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
SMILESCN1CCN(C(=O)[C@@]23CC[C@@](C)(C(=O)C2)C3(C)C)CC1
InChIInChI=1S/C16H26N2O2/c1-14(2)15(3)5-6-16(14,11-12(15)19)13(20)18-9-7-17(4)8-10-18/h5-11H2,1-4H3/t15-,16+/m0/s1
InChIKeyZMBSZRAWHINMPB-JKSUJKDBSA-N
XLogP1.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,4S)-1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one with MolForge

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Related Compounds

(1S,4S)-1,7,7-trimethyl-4-(4-phenylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
CID 98115733
1-[(1S,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl]piperidine-4-carboxylate
CID 7140364
(1R,4R)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 6542196
(1S,4R)-4-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 7433014
(1R,4S)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate
CID 6933722
(1R,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 6545332
4-(2,3-dihydroindole-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 2946417
(1S,4R)-1,7,7-trimethyl-4-[(2S)-2-methylpiperidine-1-carbonyl]bicyclo[2.2.1]heptan-2-one
CID 7082369
4,7,7-trimethyl-1-(4-methylpiperazine-1-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one
CID 2974481
1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptane-2,3-dione;hydrochloride
CID 44668130
(1S,4S)-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 98138014
(1S,4R)-1,7,7-trimethyl-4-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]bicyclo[2.2.1]heptan-2-one
CID 50903359

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
The IUPAC name of (1R,4S)-1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one (CID 882253) is (1R,4S)-1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for (1R,4S)-1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for (1R,4S)-1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one is CN1CCN(C(=O)[C@@]23CC[C@@](C)(C(=O)C2)C3(C)C)CC1.
What is the InChIKey of (1R,4S)-1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
The InChIKey is ZMBSZRAWHINMPB-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-14(2)15(3)5-6-16(14,11-12(15)19)13(20)18-9-7-17(4)8-10-18/h5-11H2,1-4H3/t15-,16+/m0/s1.
What are the key properties of (1R,4S)-1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one?
(1R,4S)-1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one has a molecular weight of 278.40 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 882253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).