2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-pyrimidine-6-carboxamide

C13H20N4O3 — CID 60807273

IUPAC2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-pyrimidine-6-carboxamide
SMILESCCCN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CCNCC1
InChIInChI=1S/C13H20N4O3/c1-2-7-17(9-3-5-14-6-4-9)12(19)10-8-11(18)16-13(20)15-10/h8-9,14H,2-7H2,1H3,(H2,15,16,18,20)
InChIKeyMQQNWYZQYTXXDF-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.33
Rot. Bonds4

About 2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-pyrimidine-6-carboxamide

2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-pyrimidine-6-carboxamide (PubChem CID 60807273) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-pyrimidine-6-carboxamide
PubChem CID60807273
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-pyrimidine-6-carboxamide
SMILESCCCN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CCNCC1
InChIInChI=1S/C13H20N4O3/c1-2-7-17(9-3-5-14-6-4-9)12(19)10-8-11(18)16-13(20)15-10/h8-9,14H,2-7H2,1H3,(H2,15,16,18,20)
InChIKeyMQQNWYZQYTXXDF-UHFFFAOYSA-N
XLogP-0.33
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-Amino-1-methyl-5-(1-piperidinyl)-2,4(1H,3H)-pyrimidinedione
CID 2497562
N-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 21204487
6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-methylpyrimidine-2,4-dione
CID 72707535
5-(Cyclohexylmethylamino)-1,3-dihydropyrimidine-2,4-dione
CID 899001
1,3-Dimethyl-6-(2-piperidin-1-ylethylamino)pyrimidine-2,4-dione
CID 657656
N-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide
CID 71654889
N-Isopropyl-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
CID 2227167
6-[(3R)-3-aminopiperidin-1-yl]-1,3-bis(but-2-ynyl)pyrimidine-2,4-dione
CID 72707536
2,4-dioxo-N-pentyl-1H-pyrimidine-6-carboxamide
CID 110698284
5-(piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 745053
1,3-Dimethyl-6-[[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 56796823
1,3-Dimethyl-6-[[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 56821553

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-pyrimidine-6-carboxamide?
The IUPAC name of 2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-pyrimidine-6-carboxamide (CID 60807273) is 2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-pyrimidine-6-carboxamide is CCCN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CCNCC1.
What is the InChIKey of 2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-pyrimidine-6-carboxamide?
The InChIKey is MQQNWYZQYTXXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-2-7-17(9-3-5-14-6-4-9)12(19)10-8-11(18)16-13(20)15-10/h8-9,14H,2-7H2,1H3,(H2,15,16,18,20).
What are the key properties of 2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-pyrimidine-6-carboxamide?
2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-pyrimidine-6-carboxamide has a molecular weight of 280.33 g/mol, XLogP of -0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-piperidin-4-yl-N-propyl-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 60807273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).