N-[(3R)-1-cycloheptylpiperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide

C19H30N4O3 — CID 26394923

IUPACN-[(3R)-1-cycloheptylpiperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCn1c(C(=O)N[C@@H]2CCCN(C3CCCCCC3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H30N4O3/c1-21-16(12-17(24)22(2)19(21)26)18(25)20-14-8-7-11-23(13-14)15-9-5-3-4-6-10-15/h12,14-15H,3-11,13H2,1-2H3,(H,20,25)/t14-/m1/s1
InChIKeyCHYHACBTIXQBSA-CQSZACIVSA-N
MW362.47 g/mol
LogP1.00
Rot. Bonds3

About N-[(3R)-1-cycloheptylpiperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide

N-[(3R)-1-cycloheptylpiperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide (PubChem CID 26394923) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[(3R)-1-cycloheptylpiperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cycloheptylpiperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
PubChem CID26394923
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC NameN-[(3R)-1-cycloheptylpiperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCn1c(C(=O)N[C@@H]2CCCN(C3CCCCCC3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H30N4O3/c1-21-16(12-17(24)22(2)19(21)26)18(25)20-14-8-7-11-23(13-14)15-9-5-3-4-6-10-15/h12,14-15H,3-11,13H2,1-2H3,(H,20,25)/t14-/m1/s1
InChIKeyCHYHACBTIXQBSA-CQSZACIVSA-N
XLogP1.00
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 21204487
N-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide
CID 71654889
N-butyl-2-(4-methyl-2,6-dioxo-3-pentylpyrimidin-1-yl)acetamide
CID 137640869
N-cyclohexyl-2-(4-methyl-2,6-dioxo-3-pentylpyrimidin-1-yl)acetamide
CID 137644281
N-octyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 153870611
N-nonyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 155547589
N-cycloheptyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 4798579
6-(3-aminopiperidino)-3-methyl-2,4(1H,3H)-pyrimidinedione
CID 56770224
(2,6-dioxo(1,3-dihydropyrimidin-4-yl))-N-cyclohexylcarboxamide
CID 1084850
N-(1-cyclohexyl-3,4-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(dimethylamino)acetamide
CID 57295
N-(5-diethylaminopentan-2-yl)-2,6-dioxo-3H-pyrimidine-4-carboxamide
CID 301456
6-(1-piperidinylcarbonyl)-2,4(1H,3H)-pyrimidinedione
CID 1241072

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cycloheptylpiperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The IUPAC name of N-[(3R)-1-cycloheptylpiperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide (CID 26394923) is N-[(3R)-1-cycloheptylpiperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-cycloheptylpiperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The canonical SMILES for N-[(3R)-1-cycloheptylpiperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide is Cn1c(C(=O)N[C@@H]2CCCN(C3CCCCCC3)C2)cc(=O)n(C)c1=O.
What is the InChIKey of N-[(3R)-1-cycloheptylpiperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The InChIKey is CHYHACBTIXQBSA-CQSZACIVSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-21-16(12-17(24)22(2)19(21)26)18(25)20-14-8-7-11-23(13-14)15-9-5-3-4-6-10-15/h12,14-15H,3-11,13H2,1-2H3,(H,20,25)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-cycloheptylpiperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
N-[(3R)-1-cycloheptylpiperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cycloheptylpiperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide is sourced from PubChem (CID 26394923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).