(5R)-9-(1-methylpyrrole-2-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide

C18H28N4O2 — CID 3233298

IUPAC(5R)-9-(1-methylpyrrole-2-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCC(C)NC(=O)N1CC[C@@]2(CCCN(C(=O)c3cccn3C)C2)C1
InChIInChI=1S/C18H28N4O2/c1-14(2)19-17(24)22-11-8-18(13-22)7-5-10-21(12-18)16(23)15-6-4-9-20(15)3/h4,6,9,14H,5,7-8,10-13H2,1-3H3,(H,19,24)/t18-/m1/s1
InChIKeyIJOYXCOLUAOPBJ-GOSISDBHSA-N
MW332.45 g/mol
LogP2.07
Rot. Bonds2

About (5R)-9-(1-methylpyrrole-2-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide

(5R)-9-(1-methylpyrrole-2-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 3233298) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (5R)-9-(1-methylpyrrole-2-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5R)-9-(1-methylpyrrole-2-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID3233298
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name(5R)-9-(1-methylpyrrole-2-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCC(C)NC(=O)N1CC[C@@]2(CCCN(C(=O)c3cccn3C)C2)C1
InChIInChI=1S/C18H28N4O2/c1-14(2)19-17(24)22-11-8-18(13-22)7-5-10-21(12-18)16(23)15-6-4-9-20(15)3/h4,6,9,14H,5,7-8,10-13H2,1-3H3,(H,19,24)/t18-/m1/s1
InChIKeyIJOYXCOLUAOPBJ-GOSISDBHSA-N
XLogP2.07
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-9-(1-methylpyrrole-2-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5R)-9-(1-methylpyrrole-2-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 3233298) is (5R)-9-(1-methylpyrrole-2-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5R)-9-(1-methylpyrrole-2-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5R)-9-(1-methylpyrrole-2-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide is CC(C)NC(=O)N1CC[C@@]2(CCCN(C(=O)c3cccn3C)C2)C1.
What is the InChIKey of (5R)-9-(1-methylpyrrole-2-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is IJOYXCOLUAOPBJ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14(2)19-17(24)22-11-8-18(13-22)7-5-10-21(12-18)16(23)15-6-4-9-20(15)3/h4,6,9,14H,5,7-8,10-13H2,1-3H3,(H,19,24)/t18-/m1/s1.
What are the key properties of (5R)-9-(1-methylpyrrole-2-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide?
(5R)-9-(1-methylpyrrole-2-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(1-methylpyrrole-2-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 3233298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).