(2R)-11-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

C23H32N4O2 — CID 134804556

IUPAC(2R)-11-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCc1ncccc1C(=O)N1CCC(N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1
InChIInChI=1S/C23H32N4O2/c1-16-20(4-3-9-24-16)23(29)25-10-7-19(8-11-25)26-13-17-12-18(15-26)21-5-2-6-22(28)27(21)14-17/h3-4,9,17-19,21H,2,5-8,10-15H2,1H3/t17?,18?,21-/m1/s1
InChIKeyMPUMHMRDVUYNSD-WIXQSORDSA-N
MW396.54 g/mol
LogP2.33
Rot. Bonds2

About (2R)-11-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

(2R)-11-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (PubChem CID 134804556) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is (2R)-11-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.

Molecular Properties

Compound Name(2R)-11-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
PubChem CID134804556
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name(2R)-11-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCc1ncccc1C(=O)N1CCC(N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1
InChIInChI=1S/C23H32N4O2/c1-16-20(4-3-9-24-16)23(29)25-10-7-19(8-11-25)26-13-17-12-18(15-26)21-5-2-6-22(28)27(21)14-17/h3-4,9,17-19,21H,2,5-8,10-15H2,1H3/t17?,18?,21-/m1/s1
InChIKeyMPUMHMRDVUYNSD-WIXQSORDSA-N
XLogP2.33
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R,9R)-11-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 110195177
(1R,2R,9R)-11-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 110195206
(2R)-11-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 171153740
N-benzyl-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide
CID 110195205
(2R)-11-[1-(2-ethoxyacetyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 134804188
N-(4-methoxyphenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide
CID 110195212
N-(4-methoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide
CID 134804410
N-(3-fluoro-4-methylphenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide
CID 110195247
(2R)-11-(pyridine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 134804806
N-(4-methoxy-2-methylphenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide
CID 110195265
(2R)-11-[4-(6-methylpyridine-3-carbonyl)piperazine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 134804201
(1R,2R,9R)-11-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 110195187

Frequently Asked Questions

What is the IUPAC name of (2R)-11-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The IUPAC name of (2R)-11-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (CID 134804556) is (2R)-11-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.
What is the SMILES notation for (2R)-11-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The canonical SMILES for (2R)-11-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is Cc1ncccc1C(=O)N1CCC(N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1.
What is the InChIKey of (2R)-11-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The InChIKey is MPUMHMRDVUYNSD-WIXQSORDSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-16-20(4-3-9-24-16)23(29)25-10-7-19(8-11-25)26-13-17-12-18(15-26)21-5-2-6-22(28)27(21)14-17/h3-4,9,17-19,21H,2,5-8,10-15H2,1H3/t17?,18?,21-/m1/s1.
What are the key properties of (2R)-11-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
(2R)-11-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one has a molecular weight of 396.54 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-11-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is sourced from PubChem (CID 134804556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).