5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C14H22N4O3 — CID 63241827

IUPAC5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)NCC1CCCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C14H22N4O3/c1-9(2)15-6-10-4-3-5-18(8-10)13(20)11-7-16-14(21)17-12(11)19/h7,9-10,15H,3-6,8H2,1-2H3,(H2,16,17,19,21)
InChIKeyQZRFOLLDXWPFGR-UHFFFAOYSA-N
MW294.35 g/mol
LogP-0.09
Rot. Bonds4

About 5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 63241827) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID63241827
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)NCC1CCCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C14H22N4O3/c1-9(2)15-6-10-4-3-5-18(8-10)13(20)11-7-16-14(21)17-12(11)19/h7,9-10,15H,3-6,8H2,1-2H3,(H2,16,17,19,21)
InChIKeyQZRFOLLDXWPFGR-UHFFFAOYSA-N
XLogP-0.09
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 63241827) is 5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is CC(C)NCC1CCCN(C(=O)c2c[nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of 5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is QZRFOLLDXWPFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9(2)15-6-10-4-3-5-18(8-10)13(20)11-7-16-14(21)17-12(11)19/h7,9-10,15H,3-6,8H2,1-2H3,(H2,16,17,19,21).
What are the key properties of 5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 294.35 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 63241827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).