N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride

C20H30Cl3N3O — CID 154894460

IUPACN-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
SMILESCN1CC2(CCNCC2)CC1C(=O)N(Cc1ccc(Cl)cc1)C1CC1.Cl.Cl
InChIInChI=1S/C20H28ClN3O.2ClH/c1-23-14-20(8-10-22-11-9-20)12-18(23)19(25)24(17-6-7-17)13-15-2-4-16(21)5-3-15;;/h2-5,17-18,22H,6-14H2,1H3;2*1H
InChIKeyHBOLVNAHDZCAGM-UHFFFAOYSA-N
MW434.84 g/mol
LogP3.75
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride

N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride (PubChem CID 154894460) has the molecular formula C20H30Cl3N3O and a molecular weight of 434.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
PubChem CID154894460
Molecular FormulaC20H30Cl3N3O
Molecular Weight434.84 g/mol
Exact Mass433.15
IUPAC NameN-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
SMILESCN1CC2(CCNCC2)CC1C(=O)N(Cc1ccc(Cl)cc1)C1CC1.Cl.Cl
InChIInChI=1S/C20H28ClN3O.2ClH/c1-23-14-20(8-10-22-11-9-20)12-18(23)19(25)24(17-6-7-17)13-15-2-4-16(21)5-3-15;;/h2-5,17-18,22H,6-14H2,1H3;2*1H
InChIKeyHBOLVNAHDZCAGM-UHFFFAOYSA-N
XLogP3.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.84
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride (CID 154894460) is N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride is CN1CC2(CCNCC2)CC1C(=O)N(Cc1ccc(Cl)cc1)C1CC1.Cl.Cl.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?
The InChIKey is HBOLVNAHDZCAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O.2ClH/c1-23-14-20(8-10-22-11-9-20)12-18(23)19(25)24(17-6-7-17)13-15-2-4-16(21)5-3-15;;/h2-5,17-18,22H,6-14H2,1H3;2*1H.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride has a molecular weight of 434.84 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride is sourced from PubChem (CID 154894460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).