(5R)-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C20H29N3O2 — CID 99606652

IUPAC(5R)-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCC1CCN(c2cccc(NC(=O)N3CC[C@@]4(CCOC4)C3)c2)CC1
InChIInChI=1S/C20H29N3O2/c1-16-5-9-22(10-6-16)18-4-2-3-17(13-18)21-19(24)23-11-7-20(14-23)8-12-25-15-20/h2-4,13,16H,5-12,14-15H2,1H3,(H,21,24)/t20-/m1/s1
InChIKeyKCXOAOANLNSKPT-HXUWFJFHSA-N
MW343.47 g/mol
LogP3.57
Rot. Bonds2

About (5R)-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

(5R)-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 99606652) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (5R)-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name(5R)-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID99606652
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(5R)-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCC1CCN(c2cccc(NC(=O)N3CC[C@@]4(CCOC4)C3)c2)CC1
InChIInChI=1S/C20H29N3O2/c1-16-5-9-22(10-6-16)18-4-2-3-17(13-18)21-19(24)23-11-7-20(14-23)8-12-25-15-20/h2-4,13,16H,5-12,14-15H2,1H3,(H,21,24)/t20-/m1/s1
InChIKeyKCXOAOANLNSKPT-HXUWFJFHSA-N
XLogP3.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R)-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide with MolForge

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Related Compounds

5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122102444
(5R)-N-dibenzofuran-3-yl-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97017490
(5S)-N-(2-chloro-6-methylphenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99633932
N-[3-[methyl(propan-2-yl)amino]phenyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 71992230
N-(1-phenylpiperidin-3-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 71921021
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 126792098
N-[3-(4-methylpiperidin-1-yl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 99713395
(5R)-N-(2-bromo-5-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 124577031
2-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-phenylpropanamide
CID 120597159
4-(3-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 113114501
N-(3-fluoro-5-methylphenyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
CID 99821838
1-(4-hydroxycyclohexyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 111443366

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of (5R)-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 99606652) is (5R)-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for (5R)-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for (5R)-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is CC1CCN(c2cccc(NC(=O)N3CC[C@@]4(CCOC4)C3)c2)CC1.
What is the InChIKey of (5R)-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is KCXOAOANLNSKPT-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16-5-9-22(10-6-16)18-4-2-3-17(13-18)21-19(24)23-11-7-20(14-23)8-12-25-15-20/h2-4,13,16H,5-12,14-15H2,1H3,(H,21,24)/t20-/m1/s1.
What are the key properties of (5R)-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
(5R)-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 99606652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).