(5R)-N-[(2,5-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide

C18H27N3O3 — CID 126422687

IUPAC(5R)-N-[(2,5-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)N2CCC[C@]3(CCNC3)C2)c1
InChIInChI=1S/C18H27N3O3/c1-23-15-4-5-16(24-2)14(10-15)11-20-17(22)21-9-3-6-18(13-21)7-8-19-12-18/h4-5,10,19H,3,6-9,11-13H2,1-2H3,(H,20,22)/t18-/m1/s1
InChIKeyNYWCNDIYWMKWHP-GOSISDBHSA-N
MW333.43 g/mol
LogP1.99
Rot. Bonds4

About (5R)-N-[(2,5-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide

(5R)-N-[(2,5-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide (PubChem CID 126422687) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (5R)-N-[(2,5-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound Name(5R)-N-[(2,5-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
PubChem CID126422687
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(5R)-N-[(2,5-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)N2CCC[C@]3(CCNC3)C2)c1
InChIInChI=1S/C18H27N3O3/c1-23-15-4-5-16(24-2)14(10-15)11-20-17(22)21-9-3-6-18(13-21)7-8-19-12-18/h4-5,10,19H,3,6-9,11-13H2,1-2H3,(H,20,22)/t18-/m1/s1
InChIKeyNYWCNDIYWMKWHP-GOSISDBHSA-N
XLogP1.99
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5R)-N-[(2,5-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide with MolForge

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Related Compounds

(5R)-N-(2-methoxy-5-phenylphenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 125157717
1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride
CID 154889893
2,7-diazaspiro[4.5]decan-7-yl-[1-(3-methoxyphenyl)cyclopentyl]methanone
CID 126813294
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-methoxyphenyl)-2-methylpropan-1-one
CID 82038036
N-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63363044
N-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119705250
1-[(2,5-dimethoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122072
N-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide
CID 79153050
2-(2,5-dimethoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891146
2,8-diazaspiro[5.5]undecan-2-yl-(3-methoxythiophen-2-yl)methanone
CID 82038139
N-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 56758247
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 121498257

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[(2,5-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
The IUPAC name of (5R)-N-[(2,5-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide (CID 126422687) is (5R)-N-[(2,5-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide.
What is the SMILES notation for (5R)-N-[(2,5-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for (5R)-N-[(2,5-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide is COc1ccc(OC)c(CNC(=O)N2CCC[C@]3(CCNC3)C2)c1.
What is the InChIKey of (5R)-N-[(2,5-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
The InChIKey is NYWCNDIYWMKWHP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-23-15-4-5-16(24-2)14(10-15)11-20-17(22)21-9-3-6-18(13-21)7-8-19-12-18/h4-5,10,19H,3,6-9,11-13H2,1-2H3,(H,20,22)/t18-/m1/s1.
What are the key properties of (5R)-N-[(2,5-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
(5R)-N-[(2,5-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[(2,5-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 126422687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).