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

C16H24N6O3 — CID 131919759

IUPAC2-[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
SMILESNC(=O)CN1CCCC(C(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)C1
InChIInChI=1S/C16H24N6O3/c17-15(23)9-20-4-1-2-11(7-20)16(24)21-5-3-14-13(8-21)22-12(10-25-14)6-18-19-22/h6,11,13-14H,1-5,7-10H2,(H2,17,23)/t11?,13-,14-/m0/s1
InChIKeyOZKMSFQAZNWBAP-VNXPTHQBSA-N
MW348.41 g/mol
LogP-0.85
Rot. Bonds3

About 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

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 (PubChem CID 131919759) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID131919759
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC Name2-[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
SMILESNC(=O)CN1CCCC(C(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)C1
InChIInChI=1S/C16H24N6O3/c17-15(23)9-20-4-1-2-11(7-20)16(24)21-5-3-14-13(8-21)22-12(10-25-14)6-18-19-22/h6,11,13-14H,1-5,7-10H2,(H2,17,23)/t11?,13-,14-/m0/s1
InChIKeyOZKMSFQAZNWBAP-VNXPTHQBSA-N
XLogP-0.85
TPSA106.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
(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-[3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 118775112
[2-(2-fluorophenyl)phenyl]-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]methanone
CID 118779013
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
(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
4-methyl-3-[(1S,9S)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-12-carbonyl]benzenesulfonamide
CID 118786383
1-[(1S,9S)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 118784290
5a,6,7,8,9,9a-hexahydro-4H-triazolo[5,1-c][1,4]benzoxazine
CID 74820400
[3-(methoxymethyl)phenyl]-[(1S,9S)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]methanone
CID 118776737
3-(2-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 118766222

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is NC(=O)CN1CCCC(C(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)C1.
What is the InChIKey of 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?
The InChIKey is OZKMSFQAZNWBAP-VNXPTHQBSA-N. The full InChI is InChI=1S/C16H24N6O3/c17-15(23)9-20-4-1-2-11(7-20)16(24)21-5-3-14-13(8-21)22-12(10-25-14)6-18-19-22/h6,11,13-14H,1-5,7-10H2,(H2,17,23)/t11?,13-,14-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 348.41 g/mol, XLogP of -0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 131919759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).