2,4-dioxo-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrimidine-5-carboxamide

C14H22N4O3 — CID 79701435

IUPAC2,4-dioxo-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrimidine-5-carboxamide
SMILESCCCN(CC1CCNCC1)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H22N4O3/c1-2-7-18(9-10-3-5-15-6-4-10)13(20)11-8-16-14(21)17-12(11)19/h8,10,15H,2-7,9H2,1H3,(H2,16,17,19,21)
InChIKeyNNCDIFKZUNTCHM-UHFFFAOYSA-N
MW294.35 g/mol
LogP-0.09
Rot. Bonds5

About 2,4-dioxo-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrimidine-5-carboxamide

2,4-dioxo-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrimidine-5-carboxamide (PubChem CID 79701435) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2,4-dioxo-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrimidine-5-carboxamide
PubChem CID79701435
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2,4-dioxo-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrimidine-5-carboxamide
SMILESCCCN(CC1CCNCC1)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H22N4O3/c1-2-7-18(9-10-3-5-15-6-4-10)13(20)11-8-16-14(21)17-12(11)19/h8,10,15H,2-7,9H2,1H3,(H2,16,17,19,21)
InChIKeyNNCDIFKZUNTCHM-UHFFFAOYSA-N
XLogP-0.09
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2,4-dioxo-N-(piperidin-4-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 79701478
N-methyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide
CID 43602104
N-(3-amino-2,2-dimethylpropyl)-2,4-dioxo-N-propyl-1H-pyrimidine-5-carboxamide
CID 79667775
4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79721151
4,5-dichloro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
CID 79720994
1,5-dimethyl-N-(piperidin-4-ylmethyl)-N-propylpyrazole-4-carboxamide
CID 79720334
3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 115999695
2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79700911
N-butyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 61448160
2,6-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702520
5-chloro-2-hydroxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702379
4-nitro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
CID 79702373

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dioxo-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrimidine-5-carboxamide (CID 79701435) is 2,4-dioxo-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dioxo-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrimidine-5-carboxamide is CCCN(CC1CCNCC1)C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrimidine-5-carboxamide?
The InChIKey is NNCDIFKZUNTCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-2-7-18(9-10-3-5-15-6-4-10)13(20)11-8-16-14(21)17-12(11)19/h8,10,15H,2-7,9H2,1H3,(H2,16,17,19,21).
What are the key properties of 2,4-dioxo-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrimidine-5-carboxamide?
2,4-dioxo-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrimidine-5-carboxamide has a molecular weight of 294.35 g/mol, XLogP of -0.09, 5 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-ylmethyl)-N-propyl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 79701435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).