(3R,5R)-N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decane-3-carboxamide

C16H26N4O2 — CID 97372171

IUPAC(3R,5R)-N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
SMILESCN(C)C(=O)[C@H]1C[C@@]2(CCCN(Cc3cnn(C)c3)C2)CO1
InChIInChI=1S/C16H26N4O2/c1-18(2)15(21)14-7-16(12-22-14)5-4-6-20(11-16)10-13-8-17-19(3)9-13/h8-9,14H,4-7,10-12H2,1-3H3/t14-,16-/m1/s1
InChIKeyKSNFBHPMOIJDER-GDBMZVCRSA-N
MW306.41 g/mol
LogP0.88
Rot. Bonds3

About (3R,5R)-N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decane-3-carboxamide

(3R,5R)-N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decane-3-carboxamide (PubChem CID 97372171) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3R,5R)-N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R,5R)-N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
PubChem CID97372171
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(3R,5R)-N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
SMILESCN(C)C(=O)[C@H]1C[C@@]2(CCCN(Cc3cnn(C)c3)C2)CO1
InChIInChI=1S/C16H26N4O2/c1-18(2)15(21)14-7-16(12-22-14)5-4-6-20(11-16)10-13-8-17-19(3)9-13/h8-9,14H,4-7,10-12H2,1-3H3/t14-,16-/m1/s1
InChIKeyKSNFBHPMOIJDER-GDBMZVCRSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R,5R)-N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decane-3-carboxamide (CID 97372171) is (3R,5R)-N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R,5R)-N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R,5R)-N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decane-3-carboxamide is CN(C)C(=O)[C@H]1C[C@@]2(CCCN(Cc3cnn(C)c3)C2)CO1.
What is the InChIKey of (3R,5R)-N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is KSNFBHPMOIJDER-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-18(2)15(21)14-7-16(12-22-14)5-4-6-20(11-16)10-13-8-17-19(3)9-13/h8-9,14H,4-7,10-12H2,1-3H3/t14-,16-/m1/s1.
What are the key properties of (3R,5R)-N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decane-3-carboxamide?
(3R,5R)-N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N,N-dimethyl-9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 97372171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).