1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide

C19H30N4O4 — CID 46992593

IUPAC1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
SMILESCOCC(C)NC(=O)C1CCN(C(=O)CCn2c(C)cc(C)nc2=O)CC1
InChIInChI=1S/C19H30N4O4/c1-13-11-15(3)23(19(26)21-13)10-7-17(24)22-8-5-16(6-9-22)18(25)20-14(2)12-27-4/h11,14,16H,5-10,12H2,1-4H3,(H,20,25)
InChIKeyNJJKINFXOHQKFF-UHFFFAOYSA-N
MW378.47 g/mol
LogP0.64
Rot. Bonds7

About 1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide

1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide (PubChem CID 46992593) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
PubChem CID46992593
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Name1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
SMILESCOCC(C)NC(=O)C1CCN(C(=O)CCn2c(C)cc(C)nc2=O)CC1
InChIInChI=1S/C19H30N4O4/c1-13-11-15(3)23(19(26)21-13)10-7-17(24)22-8-5-16(6-9-22)18(25)20-14(2)12-27-4/h11,14,16H,5-10,12H2,1-4H3,(H,20,25)
InChIKeyNJJKINFXOHQKFF-UHFFFAOYSA-N
XLogP0.64
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-({3-[2-(2,5-dihydro-1H-pyrrol-1-yl)-2-oxoethyl]-4-morpholinyl}carbonyl)-6-isobutyl-2(1H)-pyrimidinone
CID 56916048
6-isobutyl-4-[(3-propylmorpholin-4-yl)carbonyl]pyrimidin-2(1H)-one
CID 56719135
6-tert-butyl-N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N-methyl-2-oxo-2,3-dihydropyrimidine-4-carboxamide
CID 77092176
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 46991422
N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-1-isopropylpiperidine-4-carboxamide
CID 50956693
1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 52391730
1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 52391731
6-isobutyl-4-{[3-(morpholin-4-ylmethyl)piperidin-1-yl]carbonyl}pyrimidin-2(1H)-one
CID 86284160
6-isobutyl-2-oxo-N-[(3R*,4R*)-4-piperidin-1-yltetrahydrofuran-3-yl]-1,2-dihydropyrimidine-4-carboxamide
CID 91781746
N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-3-morpholin-4-ylbutanamide
CID 91844057
6-(2-methylpropyl)-4-[(3R)-3-propylmorpholine-4-carbonyl]-1H-pyrimidin-2-one
CID 95222560
6-(2-methylpropyl)-4-[(3S)-3-propylmorpholine-4-carbonyl]-1H-pyrimidin-2-one
CID 95222561

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide (CID 46992593) is 1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide is COCC(C)NC(=O)C1CCN(C(=O)CCn2c(C)cc(C)nc2=O)CC1.
What is the InChIKey of 1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide?
The InChIKey is NJJKINFXOHQKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-13-11-15(3)23(19(26)21-13)10-7-17(24)22-8-5-16(6-9-22)18(25)20-14(2)12-27-4/h11,14,16H,5-10,12H2,1-4H3,(H,20,25).
What are the key properties of 1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide?
1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46992593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).