N-methyl-2-[7-(1-methylpyrazole-3-carbonyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide

C14H21N5O2 — CID 134072659

IUPACN-methyl-2-[7-(1-methylpyrazole-3-carbonyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide
SMILESCNC(=O)CN1CCC12CCN(C(=O)c1ccn(C)n1)C2
InChIInChI=1S/C14H21N5O2/c1-15-12(20)9-19-8-5-14(19)4-7-18(10-14)13(21)11-3-6-17(2)16-11/h3,6H,4-5,7-10H2,1-2H3,(H,15,20)
InChIKeyCQCASSGZBMBBRZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP-0.54
Rot. Bonds3

About N-methyl-2-[7-(1-methylpyrazole-3-carbonyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide

N-methyl-2-[7-(1-methylpyrazole-3-carbonyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide (PubChem CID 134072659) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-methyl-2-[7-(1-methylpyrazole-3-carbonyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[7-(1-methylpyrazole-3-carbonyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide
PubChem CID134072659
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC NameN-methyl-2-[7-(1-methylpyrazole-3-carbonyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide
SMILESCNC(=O)CN1CCC12CCN(C(=O)c1ccn(C)n1)C2
InChIInChI=1S/C14H21N5O2/c1-15-12(20)9-19-8-5-14(19)4-7-18(10-14)13(21)11-3-6-17(2)16-11/h3,6H,4-5,7-10H2,1-2H3,(H,15,20)
InChIKeyCQCASSGZBMBBRZ-UHFFFAOYSA-N
XLogP-0.54
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[7-(2-phenylacetyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide
CID 118745149
(2S)-N,2-dimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
CID 95815552
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone
CID 103860781
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
(3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 123809651
8-(1-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70725662
(1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97409309
(3R)-N,N,3-trimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide
CID 95815536
(2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 141314396
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone
CID 133142265
2-methyl-1'-(1-methylpyrazole-3-carbonyl)spiro[6,8-dihydropyrrolo[2,1-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione
CID 131673740

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[7-(1-methylpyrazole-3-carbonyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide?
The IUPAC name of N-methyl-2-[7-(1-methylpyrazole-3-carbonyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide (CID 134072659) is N-methyl-2-[7-(1-methylpyrazole-3-carbonyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[7-(1-methylpyrazole-3-carbonyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[7-(1-methylpyrazole-3-carbonyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide is CNC(=O)CN1CCC12CCN(C(=O)c1ccn(C)n1)C2.
What is the InChIKey of N-methyl-2-[7-(1-methylpyrazole-3-carbonyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide?
The InChIKey is CQCASSGZBMBBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-15-12(20)9-19-8-5-14(19)4-7-18(10-14)13(21)11-3-6-17(2)16-11/h3,6H,4-5,7-10H2,1-2H3,(H,15,20).
What are the key properties of N-methyl-2-[7-(1-methylpyrazole-3-carbonyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide?
N-methyl-2-[7-(1-methylpyrazole-3-carbonyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide has a molecular weight of 291.35 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[7-(1-methylpyrazole-3-carbonyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide is sourced from PubChem (CID 134072659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).