N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride

C20H31Cl2N3O2 — CID 154893367

IUPACN-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
SMILESCN1CC2(CCNCC2)CC1C(=O)N(Cc1cccc(O)c1)C1CC1.Cl.Cl
InChIInChI=1S/C20H29N3O2.2ClH/c1-22-14-20(7-9-21-10-8-20)12-18(22)19(25)23(16-5-6-16)13-15-3-2-4-17(24)11-15;;/h2-4,11,16,18,21,24H,5-10,12-14H2,1H3;2*1H
InChIKeyLQDDQBXCVLXXOI-UHFFFAOYSA-N
MW416.39 g/mol
LogP2.80
Rot. Bonds4

About N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride

N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride (PubChem CID 154893367) has the molecular formula C20H31Cl2N3O2 and a molecular weight of 416.39 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
PubChem CID154893367
Molecular FormulaC20H31Cl2N3O2
Molecular Weight416.39 g/mol
Exact Mass415.18
IUPAC NameN-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
SMILESCN1CC2(CCNCC2)CC1C(=O)N(Cc1cccc(O)c1)C1CC1.Cl.Cl
InChIInChI=1S/C20H29N3O2.2ClH/c1-22-14-20(7-9-21-10-8-20)12-18(22)19(25)23(16-5-6-16)13-15-3-2-4-17(24)11-15;;/h2-4,11,16,18,21,24H,5-10,12-14H2,1H3;2*1H
InChIKeyLQDDQBXCVLXXOI-UHFFFAOYSA-N
XLogP2.80
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154894460
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56905288
(3S)-2-methyl-N-[(3-methylphenyl)methyl]-N-propan-2-yl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95862505
(3R)-N,2-dimethyl-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95874258
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56897862
(3R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95871864
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide
CID 79388375
2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide
CID 114328289
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154893810
N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63143386
(3R)-8-[(3-hydroxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95712072
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide
CID 114997619

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?
The IUPAC name of N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride (CID 154893367) is N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?
The canonical SMILES for N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride is CN1CC2(CCNCC2)CC1C(=O)N(Cc1cccc(O)c1)C1CC1.Cl.Cl.
What is the InChIKey of N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?
The InChIKey is LQDDQBXCVLXXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.2ClH/c1-22-14-20(7-9-21-10-8-20)12-18(22)19(25)23(16-5-6-16)13-15-3-2-4-17(24)11-15;;/h2-4,11,16,18,21,24H,5-10,12-14H2,1H3;2*1H.
What are the key properties of N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride has a molecular weight of 416.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride is sourced from PubChem (CID 154893367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).