N-[(1-benzylpiperidin-3-yl)methyl]-2-oxoimidazolidine-4-carboxamide

C17H24N4O2 — CID 71877677

IUPACN-[(1-benzylpiperidin-3-yl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NCC(C(=O)NCC2CCCN(Cc3ccccc3)C2)N1
InChIInChI=1S/C17H24N4O2/c22-16(15-10-19-17(23)20-15)18-9-14-7-4-8-21(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,18,22)(H2,19,20,23)
InChIKeyXEMVDFRYCLXKJJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.70
Rot. Bonds5

About N-[(1-benzylpiperidin-3-yl)methyl]-2-oxoimidazolidine-4-carboxamide

N-[(1-benzylpiperidin-3-yl)methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 71877677) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-3-yl)methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-3-yl)methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID71877677
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-[(1-benzylpiperidin-3-yl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NCC(C(=O)NCC2CCCN(Cc3ccccc3)C2)N1
InChIInChI=1S/C17H24N4O2/c22-16(15-10-19-17(23)20-15)18-9-14-7-4-8-21(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,18,22)(H2,19,20,23)
InChIKeyXEMVDFRYCLXKJJ-UHFFFAOYSA-N
XLogP0.70
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
N-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 47082202
1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
CID 47081886
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 60597786
(2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide
CID 98848393
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide
CID 71936440
1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide
CID 49214275
tert-butyl N-[(1-benzylazepan-3-yl)methyl]carbamate
CID 130577903
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-3-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[(1-benzylpiperidin-3-yl)methyl]-2-oxoimidazolidine-4-carboxamide (CID 71877677) is N-[(1-benzylpiperidin-3-yl)methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[(1-benzylpiperidin-3-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[(1-benzylpiperidin-3-yl)methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NCC(C(=O)NCC2CCCN(Cc3ccccc3)C2)N1.
What is the InChIKey of N-[(1-benzylpiperidin-3-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is XEMVDFRYCLXKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c22-16(15-10-19-17(23)20-15)18-9-14-7-4-8-21(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,18,22)(H2,19,20,23).
What are the key properties of N-[(1-benzylpiperidin-3-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
N-[(1-benzylpiperidin-3-yl)methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-3-yl)methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71877677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).