N-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide

C18H28N4O3 — CID 46381250

IUPACN-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
SMILESCn1c(N2CCC(C(=O)NC3CCCCC3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H28N4O3/c1-20-15(12-16(23)21(2)18(20)25)22-10-8-13(9-11-22)17(24)19-14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H,19,24)
InChIKeyKBYHHYVASVNZIM-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.75
Rot. Bonds3

About N-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide

N-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 46381250) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID46381250
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
SMILESCn1c(N2CCC(C(=O)NC3CCCCC3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H28N4O3/c1-20-15(12-16(23)21(2)18(20)25)22-10-8-13(9-11-22)17(24)19-14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H,19,24)
InChIKeyKBYHHYVASVNZIM-UHFFFAOYSA-N
XLogP0.75
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclohexyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione
CID 3571735
Methyl 1-(1-cyclohexyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-4-carboxylate
CID 3241826
3-cyclohexyl-6-(4-ethyl-1-piperazinyl)-2,4(1H,3H)-pyrimidinedione
CID 3571734
N-cycloheptyl-1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-4-carboxamide
CID 46381364
N-cycloheptyl-1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-4-carboxamide
CID 46381274
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 46381288
N-allyl-1-{3-[(methylsulfonyl)amino]benzoyl}piperidine-3-carboxamide
CID 46381299
N-cyclopentyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
CID 46381307
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 46381317
N-cyclohexyl-1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-4-carboxamide
CID 46381348
1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46381363
1-Ethyl-3-methyl-6-[4-(piperidinocarbonyl)piperidino]-2,4(1H,3H)-pyrimidinedione
CID 46381371

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide (CID 46381250) is N-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide is Cn1c(N2CCC(C(=O)NC3CCCCC3)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of N-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is KBYHHYVASVNZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-20-15(12-16(23)21(2)18(20)25)22-10-8-13(9-11-22)17(24)19-14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H,19,24).
What are the key properties of N-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
N-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46381250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).