2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C18H29N5O2 — CID 72850435

IUPAC2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN(C)CCN1CC2(CCC1=O)CCN(C(=O)c1ccn(C)n1)CC2
InChIInChI=1S/C18H29N5O2/c1-20(2)12-13-23-14-18(6-4-16(23)24)7-10-22(11-8-18)17(25)15-5-9-21(3)19-15/h5,9H,4,6-8,10-14H2,1-3H3
InChIKeyRRODFAKTICGCBO-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.83
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72850435) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72850435
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN(C)CCN1CC2(CCC1=O)CCN(C(=O)c1ccn(C)n1)CC2
InChIInChI=1S/C18H29N5O2/c1-20(2)12-13-23-14-18(6-4-16(23)24)7-10-22(11-8-18)17(25)15-5-9-21(3)19-15/h5,9H,4,6-8,10-14H2,1-3H3
InChIKeyRRODFAKTICGCBO-UHFFFAOYSA-N
XLogP0.83
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-cyclopentyl-3-piperidinyl)methyl]-1-methyl-N-[2-(1-piperidinyl)ethyl]-1H-pyrazole-5-carboxamide
CID 24819489
(4-Methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone
CID 39891793
2-cyclopentyl-8-[2-(5-methyl-1H-pyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70731577
2-Cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72907096
[(2S,4S)-4-fluoro-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875994
[(2S,4S)-1-(2-ethylpyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875996
[(2S,4S)-1-(1-ethylpyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875997
2-Ethyl-6-(1-methylpyrazole-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118738748
9-(2-Methylpyrazole-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 118739526
[4-[Methyl(oxan-4-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 91916169
5-[1-(1-Ethyl-1H-pyrazole-5-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201708
(1-Ethyl-3-pyrazolyl)piperidinomethanone
CID 25855597

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72850435) is 2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is CN(C)CCN1CC2(CCC1=O)CCN(C(=O)c1ccn(C)n1)CC2.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is RRODFAKTICGCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-20(2)12-13-23-14-18(6-4-16(23)24)7-10-22(11-8-18)17(25)15-5-9-21(3)19-15/h5,9H,4,6-8,10-14H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 347.46 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72850435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).