N,N-dimethyl-4-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-12-carbonyl]piperidine-1-carboxamide

C17H26N6O3 — CID 118784549

IUPACN,N-dimethyl-4-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-12-carbonyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)CC1
InChIInChI=1S/C17H26N6O3/c1-20(2)17(25)21-6-3-12(4-7-21)16(24)22-8-5-15-14(10-22)23-13(11-26-15)9-18-19-23/h9,12,14-15H,3-8,10-11H2,1-2H3/t14-,15+/m0/s1
InChIKeyIBOIFMNKPQPDRX-LSDHHAIUSA-N
MW362.43 g/mol
LogP0.34
Rot. Bonds1

About N,N-dimethyl-4-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-12-carbonyl]piperidine-1-carboxamide

N,N-dimethyl-4-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-12-carbonyl]piperidine-1-carboxamide (PubChem CID 118784549) has the molecular formula C17H26N6O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-12-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-12-carbonyl]piperidine-1-carboxamide
PubChem CID118784549
Molecular FormulaC17H26N6O3
Molecular Weight362.43 g/mol
Exact Mass362.21
IUPAC NameN,N-dimethyl-4-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-12-carbonyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)CC1
InChIInChI=1S/C17H26N6O3/c1-20(2)17(25)21-6-3-12(4-7-21)16(24)22-8-5-15-14(10-22)23-13(11-26-15)9-18-19-23/h9,12,14-15H,3-8,10-11H2,1-2H3/t14-,15+/m0/s1
InChIKeyIBOIFMNKPQPDRX-LSDHHAIUSA-N
XLogP0.34
TPSA83.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-4-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-12-carbonyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-dimethyl-3-[2-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]-2-oxoethyl]urea
CID 118766130
2-[3-[(1S,9S)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-12-carbonyl]piperidin-1-yl]acetamide
CID 131919759
(2-chlorophenyl)-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]methanone
CID 118762515
(2-methylsulfanylphenyl)-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]methanone
CID 118776033
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]methanone
CID 118762351
4-[(1S,9S)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-12-carbonyl]benzonitrile
CID 118771118
1-[(2R,6R)-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]butan-1-one
CID 67404033
(4-chloro-1-ethylpyrazol-5-yl)-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]methanone
CID 118773391
tert-butyl (2S)-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxylate
CID 59587931
2-(5-acetylthiophen-3-yl)-1-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]ethanone
CID 118793205
3-methyl-5-[2-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 118790380
3-(4-fluorophenyl)-1-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]propan-1-one
CID 118795718

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-12-carbonyl]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-12-carbonyl]piperidine-1-carboxamide (CID 118784549) is N,N-dimethyl-4-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-12-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-12-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-12-carbonyl]piperidine-1-carboxamide is CN(C)C(=O)N1CCC(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)CC1.
What is the InChIKey of N,N-dimethyl-4-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-12-carbonyl]piperidine-1-carboxamide?
The InChIKey is IBOIFMNKPQPDRX-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H26N6O3/c1-20(2)17(25)21-6-3-12(4-7-21)16(24)22-8-5-15-14(10-22)23-13(11-26-15)9-18-19-23/h9,12,14-15H,3-8,10-11H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of N,N-dimethyl-4-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-12-carbonyl]piperidine-1-carboxamide?
N,N-dimethyl-4-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-12-carbonyl]piperidine-1-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-12-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 118784549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).