N-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-4-carboxamide

C16H20N4O3 — CID 170737594

IUPACN-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-4-carboxamide
SMILESO=C1CCN(c2ccc(NC(=O)C3CCNCC3)cc2)C(=O)N1
InChIInChI=1S/C16H20N4O3/c21-14-7-10-20(16(23)19-14)13-3-1-12(2-4-13)18-15(22)11-5-8-17-9-6-11/h1-4,11,17H,5-10H2,(H,18,22)(H,19,21,23)
InChIKeyJJJWGANYDVPIAK-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.07
Rot. Bonds3

About N-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-4-carboxamide

N-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-4-carboxamide (PubChem CID 170737594) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-4-carboxamide
PubChem CID170737594
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-4-carboxamide
SMILESO=C1CCN(c2ccc(NC(=O)C3CCNCC3)cc2)C(=O)N1
InChIInChI=1S/C16H20N4O3/c21-14-7-10-20(16(23)19-14)13-3-1-12(2-4-13)18-15(22)11-5-8-17-9-6-11/h1-4,11,17H,5-10H2,(H,18,22)(H,19,21,23)
InChIKeyJJJWGANYDVPIAK-UHFFFAOYSA-N
XLogP1.07
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 119326443
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-4-carboxamide
CID 119285120
5-oxo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 60707111
N-(4-formylphenyl)piperidine-4-carboxamide
CID 130269398
N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43708676
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxopiperidine-4-carboxamide
CID 110682183
4-(2,4-dioxo-1,3-diazinan-1-yl)benzamide
CID 23023749
methyl 4-(piperidine-4-carbonylamino)benzoate
CID 61258374
N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119268961
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119288587
N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 60928576

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-4-carboxamide (CID 170737594) is N-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-4-carboxamide is O=C1CCN(c2ccc(NC(=O)C3CCNCC3)cc2)C(=O)N1.
What is the InChIKey of N-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is JJJWGANYDVPIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-14-7-10-20(16(23)19-14)13-3-1-12(2-4-13)18-15(22)11-5-8-17-9-6-11/h1-4,11,17H,5-10H2,(H,18,22)(H,19,21,23).
What are the key properties of N-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-4-carboxamide?
N-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 170737594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).