2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide

C17H24N4O4 — CID 164633051

IUPAC2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
SMILESC[C@H](NC(=O)Cn1c(=O)ccn(C2CC2)c1=O)C(=O)N1CCCCC1
InChIInChI=1S/C17H24N4O4/c1-12(16(24)19-8-3-2-4-9-19)18-14(22)11-21-15(23)7-10-20(17(21)25)13-5-6-13/h7,10,12-13H,2-6,8-9,11H2,1H3,(H,18,22)/t12-/m0/s1
InChIKeyJAWKPBSODDTRSA-LBPRGKRZSA-N
MW348.40 g/mol
LogP-0.14
Rot. Bonds5

About 2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide

2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide (PubChem CID 164633051) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
PubChem CID164633051
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
SMILESC[C@H](NC(=O)Cn1c(=O)ccn(C2CC2)c1=O)C(=O)N1CCCCC1
InChIInChI=1S/C17H24N4O4/c1-12(16(24)19-8-3-2-4-9-19)18-14(22)11-21-15(23)7-10-20(17(21)25)13-5-6-13/h7,10,12-13H,2-6,8-9,11H2,1H3,(H,18,22)/t12-/m0/s1
InChIKeyJAWKPBSODDTRSA-LBPRGKRZSA-N
XLogP-0.14
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide
CID 71654889
6-(3-Aminopiperidin-1-yl)-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride
CID 132372620
1-(Piperidin-3-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride
CID 137947129
1-[3-(4-ethyl-2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]pyrimidine-2,4(1H,3H)-dione
CID 56716242
6-(3-aminopiperidino)-3-methyl-2,4(1H,3H)-pyrimidinedione
CID 56770224
1-(piperidin-3-yl)pyrimidine-2,4(1H,3H)-dione
CID 51050696
1-[2-[5-Amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride
CID 128986361
1-[2-[5-Amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 128986362
1-[2-[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 129535668
1-[2-[(2R,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 129535669
1-[2-[(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 129535670
1-[2-[(2R,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 129535671

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide?
The IUPAC name of 2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide (CID 164633051) is 2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide?
The canonical SMILES for 2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide is C[C@H](NC(=O)Cn1c(=O)ccn(C2CC2)c1=O)C(=O)N1CCCCC1.
What is the InChIKey of 2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide?
The InChIKey is JAWKPBSODDTRSA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-12(16(24)19-8-3-2-4-9-19)18-14(22)11-21-15(23)7-10-20(17(21)25)13-5-6-13/h7,10,12-13H,2-6,8-9,11H2,1H3,(H,18,22)/t12-/m0/s1.
What are the key properties of 2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide?
2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide has a molecular weight of 348.40 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide is sourced from PubChem (CID 164633051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).