N-(1-benzylpiperidin-4-yl)-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide

C25H36N4O2 — CID 134804091

IUPACN-(1-benzylpiperidin-4-yl)-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide
SMILESO=C(CN1CC2CC(C1)[C@H]1CCCC(=O)N1C2)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H36N4O2/c30-24(26-22-9-11-27(12-10-22)14-19-5-2-1-3-6-19)18-28-15-20-13-21(17-28)23-7-4-8-25(31)29(23)16-20/h1-3,5-6,20-23H,4,7-18H2,(H,26,30)/t20?,21?,23-/m1/s1
InChIKeySEKZLBHTXPGIRQ-YDPRHXJPSA-N
MW424.59 g/mol
LogP2.10
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide

N-(1-benzylpiperidin-4-yl)-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide (PubChem CID 134804091) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide
PubChem CID134804091
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide
SMILESO=C(CN1CC2CC(C1)[C@H]1CCCC(=O)N1C2)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H36N4O2/c30-24(26-22-9-11-27(12-10-22)14-19-5-2-1-3-6-19)18-28-15-20-13-21(17-28)23-7-4-8-25(31)29(23)16-20/h1-3,5-6,20-23H,4,7-18H2,(H,26,30)/t20?,21?,23-/m1/s1
InChIKeySEKZLBHTXPGIRQ-YDPRHXJPSA-N
XLogP2.10
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]-2-phenylacetamide
CID 134804170
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(1-benzylpiperidin-4-yl)acetamide
CID 11932070
N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]-4-phenylbutanamide
CID 134804169
N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8542398
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
4-[(2R)-7-benzyl-3,7-diazabicyclo[3.3.1]nonan-2-yl]-N-(1-benzylpiperidin-4-yl)butanamide
CID 171153752
N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 45281619
2-(4-benzylpiperazin-1-yl)-N-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 21383089
N-(1-benzylpiperidin-4-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 34363205
N-(1-benzylpyrrolidin-3-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide
CID 56781183
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide (CID 134804091) is N-(1-benzylpiperidin-4-yl)-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide is O=C(CN1CC2CC(C1)[C@H]1CCCC(=O)N1C2)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide?
The InChIKey is SEKZLBHTXPGIRQ-YDPRHXJPSA-N. The full InChI is InChI=1S/C25H36N4O2/c30-24(26-22-9-11-27(12-10-22)14-19-5-2-1-3-6-19)18-28-15-20-13-21(17-28)23-7-4-8-25(31)29(23)16-20/h1-3,5-6,20-23H,4,7-18H2,(H,26,30)/t20?,21?,23-/m1/s1.
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide?
N-(1-benzylpiperidin-4-yl)-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide has a molecular weight of 424.59 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide is sourced from PubChem (CID 134804091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).