(3R,5S)-N,N-dimethyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide

C16H24N4O2 — CID 124521194

IUPAC(3R,5S)-N,N-dimethyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
SMILESCc1cnc(N2CCC[C@@]3(CO[C@@H](C(=O)N(C)C)C3)C2)nc1
InChIInChI=1S/C16H24N4O2/c1-12-8-17-15(18-9-12)20-6-4-5-16(10-20)7-13(22-11-16)14(21)19(2)3/h8-9,13H,4-7,10-11H2,1-3H3/t13-,16+/m1/s1
InChIKeyCKMMCRFKHZFKJD-CJNGLKHVSA-N
MW304.39 g/mol
LogP1.25
Rot. Bonds2

About (3R,5S)-N,N-dimethyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide

(3R,5S)-N,N-dimethyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide (PubChem CID 124521194) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3R,5S)-N,N-dimethyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N,N-dimethyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
PubChem CID124521194
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(3R,5S)-N,N-dimethyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
SMILESCc1cnc(N2CCC[C@@]3(CO[C@@H](C(=O)N(C)C)C3)C2)nc1
InChIInChI=1S/C16H24N4O2/c1-12-8-17-15(18-9-12)20-6-4-5-16(10-20)7-13(22-11-16)14(21)19(2)3/h8-9,13H,4-7,10-11H2,1-3H3/t13-,16+/m1/s1
InChIKeyCKMMCRFKHZFKJD-CJNGLKHVSA-N
XLogP1.25
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N,N-dimethyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R,5S)-N,N-dimethyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide (CID 124521194) is (3R,5S)-N,N-dimethyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R,5S)-N,N-dimethyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R,5S)-N,N-dimethyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide is Cc1cnc(N2CCC[C@@]3(CO[C@@H](C(=O)N(C)C)C3)C2)nc1.
What is the InChIKey of (3R,5S)-N,N-dimethyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is CKMMCRFKHZFKJD-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-8-17-15(18-9-12)20-6-4-5-16(10-20)7-13(22-11-16)14(21)19(2)3/h8-9,13H,4-7,10-11H2,1-3H3/t13-,16+/m1/s1.
What are the key properties of (3R,5S)-N,N-dimethyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide?
(3R,5S)-N,N-dimethyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N,N-dimethyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 124521194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).