(3R)-N-[(2,4-dichloro-6-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C17H23Cl2N3O — CID 95727267

IUPAC(3R)-N-[(2,4-dichloro-6-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1CC2(CCNCC2)CN1
InChIInChI=1S/C17H23Cl2N3O/c1-11-6-12(18)7-14(19)13(11)9-21-16(23)15-8-17(10-22-15)2-4-20-5-3-17/h6-7,15,20,22H,2-5,8-10H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyJSRYUAHOWSDNGJ-OAHLLOKOSA-N
MW356.30 g/mol
LogP2.65
Rot. Bonds3

About (3R)-N-[(2,4-dichloro-6-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-N-[(2,4-dichloro-6-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95727267) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is (3R)-N-[(2,4-dichloro-6-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2,4-dichloro-6-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95727267
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC Name(3R)-N-[(2,4-dichloro-6-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1CC2(CCNCC2)CN1
InChIInChI=1S/C17H23Cl2N3O/c1-11-6-12(18)7-14(19)13(11)9-21-16(23)15-8-17(10-22-15)2-4-20-5-3-17/h6-7,15,20,22H,2-5,8-10H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyJSRYUAHOWSDNGJ-OAHLLOKOSA-N
XLogP2.65
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(5-chloro-1H-indol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95713410
N-[(3-methyl-1-benzofuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154895193
N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154892684
(3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95724857
N-[(3-phenoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56902404
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56910669
(3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95727726
(3R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95720834
N-[(2,4-dichloro-6-methylphenyl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide
CID 74233036
N-[(2,4-dichloro-6-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 59303314
N-[(3-chloro-2-fluorophenyl)methyl]-5-azaspiro[2.4]heptane-6-carboxamide
CID 166772330
(3R)-N-[(1-ethylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95729625

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2,4-dichloro-6-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-N-[(2,4-dichloro-6-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95727267) is (3R)-N-[(2,4-dichloro-6-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2,4-dichloro-6-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-N-[(2,4-dichloro-6-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1CC2(CCNCC2)CN1.
What is the InChIKey of (3R)-N-[(2,4-dichloro-6-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is JSRYUAHOWSDNGJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23Cl2N3O/c1-11-6-12(18)7-14(19)13(11)9-21-16(23)15-8-17(10-22-15)2-4-20-5-3-17/h6-7,15,20,22H,2-5,8-10H2,1H3,(H,21,23)/t15-/m1/s1.
What are the key properties of (3R)-N-[(2,4-dichloro-6-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-N-[(2,4-dichloro-6-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 356.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2,4-dichloro-6-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95727267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).