(2S)-N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

C16H26N4O2 — CID 97383759

IUPAC(2S)-N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)O1
InChIInChI=1S/C16H26N4O2/c1-18(2)15(21)14-4-5-16(22-14)6-8-20(9-7-16)12-13-10-17-19(3)11-13/h10-11,14H,4-9,12H2,1-3H3/t14-/m0/s1
InChIKeyKMOIFIGUUNAPEC-AWEZNQCLSA-N
MW306.41 g/mol
LogP1.02
Rot. Bonds3

About (2S)-N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

(2S)-N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (PubChem CID 97383759) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
PubChem CID97383759
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(2S)-N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)O1
InChIInChI=1S/C16H26N4O2/c1-18(2)15(21)14-4-5-16(22-14)6-8-20(9-7-16)12-13-10-17-19(3)11-13/h10-11,14H,4-9,12H2,1-3H3/t14-/m0/s1
InChIKeyKMOIFIGUUNAPEC-AWEZNQCLSA-N
XLogP1.02
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (2S)-N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (CID 97383759) is (2S)-N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (2S)-N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (2S)-N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is CN(C)C(=O)[C@@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)O1.
What is the InChIKey of (2S)-N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is KMOIFIGUUNAPEC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-18(2)15(21)14-4-5-16(22-14)6-8-20(9-7-16)12-13-10-17-19(3)11-13/h10-11,14H,4-9,12H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
(2S)-N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 97383759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).