1-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione

C18H24N4O4 — CID 70767048

IUPAC1-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N1CCCC2(CCC(=O)N(C3CC3)C2)C1
InChIInChI=1S/C18H24N4O4/c23-14-5-9-20(17(26)19-14)10-16(25)21-8-1-6-18(11-21)7-4-15(24)22(12-18)13-2-3-13/h5,9,13H,1-4,6-8,10-12H2,(H,19,23,26)
InChIKeyNITULAGNVWUFGI-UHFFFAOYSA-N
MW360.41 g/mol
LogP-0.07
Rot. Bonds3

About 1-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione

1-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 70767048) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID70767048
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name1-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N1CCCC2(CCC(=O)N(C3CC3)C2)C1
InChIInChI=1S/C18H24N4O4/c23-14-5-9-20(17(26)19-14)10-16(25)21-8-1-6-18(11-21)7-4-15(24)22(12-18)13-2-3-13/h5,9,13H,1-4,6-8,10-12H2,(H,19,23,26)
InChIKeyNITULAGNVWUFGI-UHFFFAOYSA-N
XLogP-0.07
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-8-[(2-oxo-2,3-dihydro-1H-imidazol-4-yl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70723241
1-{2-[(4aS*,8aR*)-1-(3-methylbutyl)-2-oxooctahydro-1,6-naphthyridin-6(2H)-yl]-2-oxoethyl}pyrimidine-2,4(1H,3H)-dione
CID 70771258
1-{2-[8-(3-methylbutyl)-9-oxo-2,8-diazaspiro[5.5]undec-2-yl]-2-oxoethyl}pyrimidine-2,4(1H,3H)-dione
CID 72903246
2-(cyclopropylmethyl)-8-[(2-oxo-2,3-dihydro-1H-imidazol-4-yl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70726585
1-[2-(8-butyl-9-oxo-2,8-diazaspiro[5.5]undec-2-yl)-2-oxoethyl]pyrimidine-2,4(1H,3H)-dione
CID 72853815
1-{2-oxo-2-[(4aS*,8aR*)-2-oxo-1-propyloctahydro-1,6-naphthyridin-6(2H)-yl]ethyl}pyrimidine-2,4(1H,3H)-dione
CID 56899017
6-({8-[2-(dimethylamino)ethyl]-9-oxo-2,8-diazaspiro[5.5]undec-2-yl}carbonyl)-2,4(1H,3H)-pyrimidinedione
CID 70723742
6-[(2-cyclopentyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)methyl]-1H-pyrimidine-2,4-dione
CID 70764910
6-[[2-[2-(dimethylamino)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
CID 70774157
1-[3-(8-ethyl-9-oxo-2,8-diazaspiro[5.5]undec-2-yl)-3-oxopropyl]-2,4(1H,3H)-pyrimidinedione
CID 70774929
1-[3-(2-allyl-3-oxo-2,9-diazaspiro[5.5]undec-9-yl)-3-oxopropyl]pyrimidine-2,4(1H,3H)-dione
CID 72845569
1-[2-(2-isopropyl-3-oxo-2,9-diazaspiro[5.5]undec-9-yl)-2-oxoethyl]pyrimidine-2,4(1H,3H)-dione
CID 72846383

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione (CID 70767048) is 1-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione is O=C(Cn1ccc(=O)[nH]c1=O)N1CCCC2(CCC(=O)N(C3CC3)C2)C1.
What is the InChIKey of 1-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is NITULAGNVWUFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c23-14-5-9-20(17(26)19-14)10-16(25)21-8-1-6-18(11-21)7-4-15(24)22(12-18)13-2-3-13/h5,9,13H,1-4,6-8,10-12H2,(H,19,23,26).
What are the key properties of 1-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione?
1-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 360.41 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 70767048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).