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

C23H30N4O — CID 128967677

IUPACN-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESCCn1ccnc1CN(C(=O)C1CC1c1ccccc1)C1CC12CCNCC2
InChIInChI=1S/C23H30N4O/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
InChIKeyWYDNEOIPIDAESB-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.18
Rot. Bonds6

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

N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 128967677) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID128967677
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESCCn1ccnc1CN(C(=O)C1CC1c1ccccc1)C1CC12CCNCC2
InChIInChI=1S/C23H30N4O/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
InChIKeyWYDNEOIPIDAESB-UHFFFAOYSA-N
XLogP3.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide;hydrochloride
CID 128967676
(3R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 129341004
(2S,5R)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-5-ethyl-N-[(1-ethylimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 129465887
N-[(2S)-6-azaspiro[2.5]octan-2-yl]-1-ethyl-N-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-carboxamide
CID 129465717
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-1-ethyl-N-[(1-ethylimidazol-2-yl)methyl]pyrazole-4-carboxamide
CID 129465718
N-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 128992326
N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylfuran-2-carboxamide
CID 128993076
methyl 4-[6-azaspiro[2.5]octan-2-yl-[(1-ethylimidazol-2-yl)methyl]amino]-2,2-dimethylbutanoate;hydrochloride
CID 120845299
3-[[(2R)-6-azaspiro[2.5]octan-2-yl]-[(1-ethylimidazol-2-yl)methyl]amino]-N-methylpropane-1-sulfonamide
CID 129324449
N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
CID 167951472
N-[(1-ethylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 167822778
N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-fluorophenyl)propyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120845305

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?
The IUPAC name of N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide (CID 128967677) is N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide is CCn1ccnc1CN(C(=O)C1CC1c1ccccc1)C1CC12CCNCC2.
What is the InChIKey of N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is WYDNEOIPIDAESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/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.
What are the key properties of N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.18, 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 is sourced from PubChem (CID 128967677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).