N-(4-chlorophenyl)-4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxamide

C16H21ClN4O2 — CID 134793891

IUPACN-(4-chlorophenyl)-4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCC(N2CCCNC2=O)CC1
InChIInChI=1S/C16H21ClN4O2/c17-12-2-4-13(5-3-12)19-16(23)20-10-6-14(7-11-20)21-9-1-8-18-15(21)22/h2-5,14H,1,6-11H2,(H,18,22)(H,19,23)
InChIKeyFTIVZRHTVFDNMB-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.75
Rot. Bonds2

About N-(4-chlorophenyl)-4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxamide

N-(4-chlorophenyl)-4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxamide (PubChem CID 134793891) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxamide
PubChem CID134793891
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC NameN-(4-chlorophenyl)-4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCC(N2CCCNC2=O)CC1
InChIInChI=1S/C16H21ClN4O2/c17-12-2-4-13(5-3-12)19-16(23)20-10-6-14(7-11-20)21-9-1-8-18-15(21)22/h2-5,14H,1,6-11H2,(H,18,22)(H,19,23)
InChIKeyFTIVZRHTVFDNMB-UHFFFAOYSA-N
XLogP2.75
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-3-pyridinyl)-4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxamide
CID 154782658
N-(4-chlorophenyl)-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 121160458
N-(4-chlorophenyl)-4-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 165430478
(3R)-N-(4-fluorophenyl)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 94782811
1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one
CID 134793694
N-(4-chlorophenyl)-4-cyanopiperidine-1-carboxamide
CID 60969957
N-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide
CID 90616556
(10aR)-N-(4-methylphenyl)-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-3-carboxamide
CID 131993361
(3R)-3-amino-N-(4-chlorophenyl)pyrrolidine-1-carboxamide;hydrochloride
CID 165430484
N-(4-chlorophenyl)-3-piperazin-1-ylazetidine-1-carboxamide
CID 66196929
N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide
CID 110446851
N-(4-chlorophenyl)-4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carboxamide
CID 90617413

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxamide (CID 134793891) is N-(4-chlorophenyl)-4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCC(N2CCCNC2=O)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxamide?
The InChIKey is FTIVZRHTVFDNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2/c17-12-2-4-13(5-3-12)19-16(23)20-10-6-14(7-11-20)21-9-1-8-18-15(21)22/h2-5,14H,1,6-11H2,(H,18,22)(H,19,23).
What are the key properties of N-(4-chlorophenyl)-4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxamide?
N-(4-chlorophenyl)-4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxamide has a molecular weight of 336.82 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 134793891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).