N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide;hydrochloride

C23H31ClN4O — CID 128967676

IUPACN-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide;hydrochloride
SMILESCCn1ccnc1CN(C(=O)C1CC1c1ccccc1)C1CC12CCNCC2.Cl
InChIInChI=1S/C23H30N4O.ClH/c1-2-26-13-12-25-21(26)16-27(20-15-23(20)8-10-24-11-9-23)22(28)19-14-18(19)17-6-4-3-5-7-17;/h3-7,12-13,18-20,24H,2,8-11,14-16H2,1H3;1H
InChIKeyXZFCHZMTFZBSLO-UHFFFAOYSA-N
MW414.98 g/mol
LogP3.60
Rot. Bonds6

About N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide;hydrochloride

N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 128967676) has the molecular formula C23H31ClN4O and a molecular weight of 414.98 g/mol. Its IUPAC name is N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide;hydrochloride
PubChem CID128967676
Molecular FormulaC23H31ClN4O
Molecular Weight414.98 g/mol
Exact Mass414.22
IUPAC NameN-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide;hydrochloride
SMILESCCn1ccnc1CN(C(=O)C1CC1c1ccccc1)C1CC12CCNCC2.Cl
InChIInChI=1S/C23H30N4O.ClH/c1-2-26-13-12-25-21(26)16-27(20-15-23(20)8-10-24-11-9-23)22(28)19-14-18(19)17-6-4-3-5-7-17;/h3-7,12-13,18-20,24H,2,8-11,14-16H2,1H3;1H
InChIKeyXZFCHZMTFZBSLO-UHFFFAOYSA-N
XLogP3.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide;hydrochloride (CID 128967676) is N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide;hydrochloride is CCn1ccnc1CN(C(=O)C1CC1c1ccccc1)C1CC12CCNCC2.Cl.
What is the InChIKey of N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is XZFCHZMTFZBSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O.ClH/c1-2-26-13-12-25-21(26)16-27(20-15-23(20)8-10-24-11-9-23)22(28)19-14-18(19)17-6-4-3-5-7-17;/h3-7,12-13,18-20,24H,2,8-11,14-16H2,1H3;1H.
What are the key properties of N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide;hydrochloride?
N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 414.98 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 128967676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).