1,3-dimethyl-6-[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]pyrimidine-2,4-dione

C22H27N3O5 — CID 42115571

IUPAC1,3-dimethyl-6-[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]pyrimidine-2,4-dione
SMILESCC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C(=O)c3cc(=O)n(C)c(=O)n3C)C2)c1
InChIInChI=1S/C22H27N3O5/c1-14(2)30-17-9-5-7-15(11-17)20(27)16-8-6-10-25(13-16)21(28)18-12-19(26)24(4)22(29)23(18)3/h5,7,9,11-12,14,16H,6,8,10,13H2,1-4H3/t16-/m1/s1
InChIKeyMOFAIMQKWUTUOS-MRXNPFEDSA-N
MW413.47 g/mol
LogP1.61
Rot. Bonds5

About 1,3-dimethyl-6-[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]pyrimidine-2,4-dione (PubChem CID 42115571) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]pyrimidine-2,4-dione
PubChem CID42115571
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name1,3-dimethyl-6-[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]pyrimidine-2,4-dione
SMILESCC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C(=O)c3cc(=O)n(C)c(=O)n3C)C2)c1
InChIInChI=1S/C22H27N3O5/c1-14(2)30-17-9-5-7-15(11-17)20(27)16-8-6-10-25(13-16)21(28)18-12-19(26)24(4)22(29)23(18)3/h5,7,9,11-12,14,16H,6,8,10,13H2,1-4H3/t16-/m1/s1
InChIKeyMOFAIMQKWUTUOS-MRXNPFEDSA-N
XLogP1.61
TPSA90.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-6-[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

[(3S)-1-(3-ethynylbenzoyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 26409527
(1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone
CID 45245966
(3S)-N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide
CID 26406225
N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide
CID 45250289
[(3R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 95717856
[(3S)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 95717857
[(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 51510402
3-[(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)piperidin-3-yl]benzoic acid
CID 97189430
[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 24791987
piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone
CID 6458312
ethyl 2-[[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]amino]acetate
CID 25377875
[1-(1,4-dithiepan-6-yl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45198049

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]pyrimidine-2,4-dione (CID 42115571) is 1,3-dimethyl-6-[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]pyrimidine-2,4-dione is CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C(=O)c3cc(=O)n(C)c(=O)n3C)C2)c1.
What is the InChIKey of 1,3-dimethyl-6-[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]pyrimidine-2,4-dione?
The InChIKey is MOFAIMQKWUTUOS-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-14(2)30-17-9-5-7-15(11-17)20(27)16-8-6-10-25(13-16)21(28)18-12-19(26)24(4)22(29)23(18)3/h5,7,9,11-12,14,16H,6,8,10,13H2,1-4H3/t16-/m1/s1.
What are the key properties of 1,3-dimethyl-6-[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]pyrimidine-2,4-dione has a molecular weight of 413.47 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[(3R)-3-(3-propan-2-yloxybenzoyl)piperidine-1-carbonyl]pyrimidine-2,4-dione is sourced from PubChem (CID 42115571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).