N-benzyl-4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-carboxamide

C23H34N4O3 — CID 110201725

IUPACN-benzyl-4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-carboxamide
SMILESO=C1CCN(C(=O)C2CCN(C(=O)NCc3ccccc3)CC2)CCCCCCN1
InChIInChI=1S/C23H34N4O3/c28-21-12-17-26(14-7-2-1-6-13-24-21)22(29)20-10-15-27(16-11-20)23(30)25-18-19-8-4-3-5-9-19/h3-5,8-9,20H,1-2,6-7,10-18H2,(H,24,28)(H,25,30)
InChIKeyQZOBJTSOWDSFHL-UHFFFAOYSA-N
MW414.55 g/mol
LogP2.52
Rot. Bonds3

About N-benzyl-4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-carboxamide

N-benzyl-4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-carboxamide (PubChem CID 110201725) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-benzyl-4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-carboxamide
PubChem CID110201725
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC NameN-benzyl-4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-carboxamide
SMILESO=C1CCN(C(=O)C2CCN(C(=O)NCc3ccccc3)CC2)CCCCCCN1
InChIInChI=1S/C23H34N4O3/c28-21-12-17-26(14-7-2-1-6-13-24-21)22(29)20-10-15-27(16-11-20)23(30)25-18-19-8-4-3-5-9-19/h3-5,8-9,20H,1-2,6-7,10-18H2,(H,24,28)(H,25,30)
InChIKeyQZOBJTSOWDSFHL-UHFFFAOYSA-N
XLogP2.52
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(oxane-4-carbonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
CID 110199669
N-benzylazonane-1-carboxamide
CID 130689649
N-(2-methoxy-3-phenylpropyl)-4-oxo-1,5-diazecane-1-carboxamide
CID 146106412
4-oxo-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-1,5-diazacycloundecane-1-carboxamide
CID 167971468
5-[1-(1-methylpyrrole-2-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201705
N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 71192982
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 113005998
5-[1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201685
5-(4-phenylbutanoyl)-1,5-diazacycloundecan-2-one
CID 110201364
(1S,11R)-N-benzyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
CID 110199324
1-(1-benzylpiperidine-3-carbonyl)-1,4-diazepan-5-one
CID 56821816
1-[1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-benzylurea
CID 55685241

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-carboxamide (CID 110201725) is N-benzyl-4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-carboxamide is O=C1CCN(C(=O)C2CCN(C(=O)NCc3ccccc3)CC2)CCCCCCN1.
What is the InChIKey of N-benzyl-4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-carboxamide?
The InChIKey is QZOBJTSOWDSFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c28-21-12-17-26(14-7-2-1-6-13-24-21)22(29)20-10-15-27(16-11-20)23(30)25-18-19-8-4-3-5-9-19/h3-5,8-9,20H,1-2,6-7,10-18H2,(H,24,28)(H,25,30).
What are the key properties of N-benzyl-4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-carboxamide?
N-benzyl-4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 110201725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).