N-benzyl-4-[(5-oxopyrrolidine-2-carbonyl)amino]piperidine-1-carboxamide

C18H24N4O3 — CID 110821696

IUPACN-benzyl-4-[(5-oxopyrrolidine-2-carbonyl)amino]piperidine-1-carboxamide
SMILESO=C1CCC(C(=O)NC2CCN(C(=O)NCc3ccccc3)CC2)N1
InChIInChI=1S/C18H24N4O3/c23-16-7-6-15(21-16)17(24)20-14-8-10-22(11-9-14)18(25)19-12-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,19,25)(H,20,24)(H,21,23)
InChIKeyFKVOJFGWTXMXGX-UHFFFAOYSA-N
MW344.41 g/mol
LogP0.76
Rot. Bonds4

About N-benzyl-4-[(5-oxopyrrolidine-2-carbonyl)amino]piperidine-1-carboxamide

N-benzyl-4-[(5-oxopyrrolidine-2-carbonyl)amino]piperidine-1-carboxamide (PubChem CID 110821696) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-benzyl-4-[(5-oxopyrrolidine-2-carbonyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(5-oxopyrrolidine-2-carbonyl)amino]piperidine-1-carboxamide
PubChem CID110821696
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC NameN-benzyl-4-[(5-oxopyrrolidine-2-carbonyl)amino]piperidine-1-carboxamide
SMILESO=C1CCC(C(=O)NC2CCN(C(=O)NCc3ccccc3)CC2)N1
InChIInChI=1S/C18H24N4O3/c23-16-7-6-15(21-16)17(24)20-14-8-10-22(11-9-14)18(25)19-12-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,19,25)(H,20,24)(H,21,23)
InChIKeyFKVOJFGWTXMXGX-UHFFFAOYSA-N
XLogP0.76
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-N-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 110820856
N-benzyl-4-(cyclobutanecarbonylamino)piperidine-1-carboxamide
CID 110821711
N-benzyl-4-(oxolane-2-carbonylamino)piperidine-1-carboxamide
CID 110821703
ethyl N-[1-(benzylcarbamoyl)piperidin-4-yl]carbamate
CID 110821710
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 110820368
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
N-benzyl-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 24793478
2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608761
4-N-benzyl-1-N-(1-cyclopropylpiperidin-4-yl)piperidine-1,4-dicarboxamide
CID 87003142
N-[1-(benzylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47836760
N-benzyl-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide
CID 24792699
5-oxo-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 136523505

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(5-oxopyrrolidine-2-carbonyl)amino]piperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-[(5-oxopyrrolidine-2-carbonyl)amino]piperidine-1-carboxamide (CID 110821696) is N-benzyl-4-[(5-oxopyrrolidine-2-carbonyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[(5-oxopyrrolidine-2-carbonyl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-[(5-oxopyrrolidine-2-carbonyl)amino]piperidine-1-carboxamide is O=C1CCC(C(=O)NC2CCN(C(=O)NCc3ccccc3)CC2)N1.
What is the InChIKey of N-benzyl-4-[(5-oxopyrrolidine-2-carbonyl)amino]piperidine-1-carboxamide?
The InChIKey is FKVOJFGWTXMXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c23-16-7-6-15(21-16)17(24)20-14-8-10-22(11-9-14)18(25)19-12-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,19,25)(H,20,24)(H,21,23).
What are the key properties of N-benzyl-4-[(5-oxopyrrolidine-2-carbonyl)amino]piperidine-1-carboxamide?
N-benzyl-4-[(5-oxopyrrolidine-2-carbonyl)amino]piperidine-1-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(5-oxopyrrolidine-2-carbonyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 110821696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).