[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1-methylpyrazol-3-yl)methanone

C17H26N4O3 — CID 118744599

IUPAC[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCOC3(COCCN(CC4CC4)C3)C2)n1
InChIInChI=1S/C17H26N4O3/c1-19-5-4-15(18-19)16(22)21-7-9-24-17(12-21)11-20(6-8-23-13-17)10-14-2-3-14/h4-5,14H,2-3,6-13H2,1H3
InChIKeyDKWLQMLQZBCZND-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.37
Rot. Bonds3

About [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1-methylpyrazol-3-yl)methanone

[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 118744599) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID118744599
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCOC3(COCCN(CC4CC4)C3)C2)n1
InChIInChI=1S/C17H26N4O3/c1-19-5-4-15(18-19)16(22)21-7-9-24-17(12-21)11-20(6-8-23-13-17)10-14-2-3-14/h4-5,14H,2-3,6-13H2,1H3
InChIKeyDKWLQMLQZBCZND-UHFFFAOYSA-N
XLogP0.37
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-methyl-1H-pyrazol-5-yl)(morpholino)methanone
CID 6469888
(1-Ethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 1225789
2,6-dimethyl-4-[(1-methyl-1H-pyrazol-3-yl)carbonyl]morpholine
CID 5057975
1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 17144219
[(5aS,8aS)-4-(cyclopropylmethyl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-7-yl]-(1-methylpyrazol-3-yl)methanone
CID 97420218
4-[(1-propionyl-1H-pyrazol-3-yl)carbonyl]morpholine
CID 754448
[4-(2-ethoxyethoxy)piperidino](1-methyl-1H-pyrazol-5-yl)methanone
CID 91918336
[3-(cyclopropylmethoxy)-1-pyrrolidinyl](1-ethyl-1H-pyrazol-5-yl)methanone
CID 91919422
7-Ethyl-11-(1-ethyl-1H-pyrazole-5-carbonyl)-3-oxa-7,11-diazaspiro[5.6]dodecan-8-one
CID 124075363
(3S)-3-ethyl-4-[(1-propyl-1H-pyrazol-5-yl)carbonyl]morpholine
CID 70775948
(6S)-10-(cyclopropylmethyl)-1-methyl-4-(1-methylpyrazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97190216
1-ethyl-N-(1-methylpiperidin-4-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-3-carboxamide
CID 99739991

Frequently Asked Questions

What is the IUPAC name of [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1-methylpyrazol-3-yl)methanone (CID 118744599) is [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)N2CCOC3(COCCN(CC4CC4)C3)C2)n1.
What is the InChIKey of [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is DKWLQMLQZBCZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-19-5-4-15(18-19)16(22)21-7-9-24-17(12-21)11-20(6-8-23-13-17)10-14-2-3-14/h4-5,14H,2-3,6-13H2,1H3.
What are the key properties of [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1-methylpyrazol-3-yl)methanone?
[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 334.42 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 118744599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).