1-[3-[(3R)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione

C16H25N3O4 — CID 97110704

IUPAC1-[3-[(3R)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
SMILESCCC[C@@]1(CO)CCCN(C(=O)CCn2ccc(=O)[nH]c2=O)C1
InChIInChI=1S/C16H25N3O4/c1-2-6-16(12-20)7-3-8-19(11-16)14(22)5-10-18-9-4-13(21)17-15(18)23/h4,9,20H,2-3,5-8,10-12H2,1H3,(H,17,21,23)/t16-/m1/s1
InChIKeySSSHCZLJNCYUOJ-MRXNPFEDSA-N
MW323.39 g/mol
LogP0.33
Rot. Bonds6

About 1-[3-[(3R)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione

1-[3-[(3R)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione (PubChem CID 97110704) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-[3-[(3R)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-[(3R)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
PubChem CID97110704
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name1-[3-[(3R)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
SMILESCCC[C@@]1(CO)CCCN(C(=O)CCn2ccc(=O)[nH]c2=O)C1
InChIInChI=1S/C16H25N3O4/c1-2-6-16(12-20)7-3-8-19(11-16)14(22)5-10-18-9-4-13(21)17-15(18)23/h4,9,20H,2-3,5-8,10-12H2,1H3,(H,17,21,23)/t16-/m1/s1
InChIKeySSSHCZLJNCYUOJ-MRXNPFEDSA-N
XLogP0.33
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3R)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-[(3R)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione (CID 97110704) is 1-[3-[(3R)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-[(3R)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-[(3R)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione is CCC[C@@]1(CO)CCCN(C(=O)CCn2ccc(=O)[nH]c2=O)C1.
What is the InChIKey of 1-[3-[(3R)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The InChIKey is SSSHCZLJNCYUOJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-2-6-16(12-20)7-3-8-19(11-16)14(22)5-10-18-9-4-13(21)17-15(18)23/h4,9,20H,2-3,5-8,10-12H2,1H3,(H,17,21,23)/t16-/m1/s1.
What are the key properties of 1-[3-[(3R)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
1-[3-[(3R)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione has a molecular weight of 323.39 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3R)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione is sourced from PubChem (CID 97110704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).