2-methyl-N-[9-[(1-methylpyrazol-4-yl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]propanamide

C18H30N4O2 — CID 131646801

IUPAC2-methyl-N-[9-[(1-methylpyrazol-4-yl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]propanamide
SMILESCC(C)C(=O)NC1COCCC12CCN(Cc1cnn(C)c1)CC2
InChIInChI=1S/C18H30N4O2/c1-14(2)17(23)20-16-13-24-9-6-18(16)4-7-22(8-5-18)12-15-10-19-21(3)11-15/h10-11,14,16H,4-9,12-13H2,1-3H3,(H,20,23)
InChIKeyGLBQQOWTZGASPF-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.56
Rot. Bonds4

About 2-methyl-N-[9-[(1-methylpyrazol-4-yl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]propanamide

2-methyl-N-[9-[(1-methylpyrazol-4-yl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]propanamide (PubChem CID 131646801) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-methyl-N-[9-[(1-methylpyrazol-4-yl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[9-[(1-methylpyrazol-4-yl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]propanamide
PubChem CID131646801
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name2-methyl-N-[9-[(1-methylpyrazol-4-yl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]propanamide
SMILESCC(C)C(=O)NC1COCCC12CCN(Cc1cnn(C)c1)CC2
InChIInChI=1S/C18H30N4O2/c1-14(2)17(23)20-16-13-24-9-6-18(16)4-7-22(8-5-18)12-15-10-19-21(3)11-15/h10-11,14,16H,4-9,12-13H2,1-3H3,(H,20,23)
InChIKeyGLBQQOWTZGASPF-UHFFFAOYSA-N
XLogP1.56
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 97375260
N-[7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide
CID 131662142
(3R)-8-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 97371263
N-[(3R)-7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
CID 97374880
2-cyclopropyl-N-[(5R)-9-(thiophen-3-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide
CID 97484288
N-(cyclopropylmethyl)-5-[(1-methylpyrazol-4-yl)methyl]-5-azaspiro[2.4]heptane-2-carboxamide
CID 134070356
(5S,9S)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 98897364
(2R)-2-amino-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 119902960
10-fluoro-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 131650957
[(2R)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97383858
(3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane
CID 97485296
2-methyl-N-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
CID 118745549

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[9-[(1-methylpyrazol-4-yl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]propanamide?
The IUPAC name of 2-methyl-N-[9-[(1-methylpyrazol-4-yl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]propanamide (CID 131646801) is 2-methyl-N-[9-[(1-methylpyrazol-4-yl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[9-[(1-methylpyrazol-4-yl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]propanamide?
The canonical SMILES for 2-methyl-N-[9-[(1-methylpyrazol-4-yl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]propanamide is CC(C)C(=O)NC1COCCC12CCN(Cc1cnn(C)c1)CC2.
What is the InChIKey of 2-methyl-N-[9-[(1-methylpyrazol-4-yl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]propanamide?
The InChIKey is GLBQQOWTZGASPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14(2)17(23)20-16-13-24-9-6-18(16)4-7-22(8-5-18)12-15-10-19-21(3)11-15/h10-11,14,16H,4-9,12-13H2,1-3H3,(H,20,23).
What are the key properties of 2-methyl-N-[9-[(1-methylpyrazol-4-yl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]propanamide?
2-methyl-N-[9-[(1-methylpyrazol-4-yl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]propanamide has a molecular weight of 334.46 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[9-[(1-methylpyrazol-4-yl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]propanamide is sourced from PubChem (CID 131646801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).