[2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]-[4-(1H-imidazol-5-yl)phenyl]methanone

C20H26N4O — CID 167910047

IUPAC[2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]-[4-(1H-imidazol-5-yl)phenyl]methanone
SMILESNCC1(C2CCCCN2C(=O)c2ccc(-c3cnc[nH]3)cc2)CCC1
InChIInChI=1S/C20H26N4O/c21-13-20(9-3-10-20)18-4-1-2-11-24(18)19(25)16-7-5-15(6-8-16)17-12-22-14-23-17/h5-8,12,14,18H,1-4,9-11,13,21H2,(H,22,23)
InChIKeyHBIOPCOOJQEEHT-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.20
Rot. Bonds4

About [2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]-[4-(1H-imidazol-5-yl)phenyl]methanone

[2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]-[4-(1H-imidazol-5-yl)phenyl]methanone (PubChem CID 167910047) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is [2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]-[4-(1H-imidazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]-[4-(1H-imidazol-5-yl)phenyl]methanone
PubChem CID167910047
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name[2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]-[4-(1H-imidazol-5-yl)phenyl]methanone
SMILESNCC1(C2CCCCN2C(=O)c2ccc(-c3cnc[nH]3)cc2)CCC1
InChIInChI=1S/C20H26N4O/c21-13-20(9-3-10-20)18-4-1-2-11-24(18)19(25)16-7-5-15(6-8-16)17-12-22-14-23-17/h5-8,12,14,18H,1-4,9-11,13,21H2,(H,22,23)
InChIKeyHBIOPCOOJQEEHT-UHFFFAOYSA-N
XLogP3.20
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]-[4-(1H-imidazol-5-yl)phenyl]methanone with MolForge

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Related Compounds

[3-(1H-imidazol-5-yl)phenyl]-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 126452571
methyl 3-(3-ethanimidoylphenyl)-2-[1-[4-(1H-imidazol-5-yl)benzoyl]pyrrolidin-2-yl]propanoate
CID 59698600
[4-(1H-imidazol-5-yl)phenyl]-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 146137351
4-(2-bromoacetyl)benzoic acid;formamide;4-(1H-imidazol-5-yl)benzoic acid
CID 159894675
ethyl 2-[1-[4-(1H-pyrazol-5-yl)benzoyl]piperidin-2-yl]acetate
CID 56901719
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 138379629
4-amino-N-[4-(1H-imidazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 60849609
6-[4-[2-(2-amino-2-oxoethyl)piperidine-1-carbonyl]phenyl]pyrazine-2-carboxamide
CID 122565079
2-[(2S)-1-[4-(3-methyl-4-pyridinyl)benzoyl]piperidin-2-yl]acetamide
CID 126442431
[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone
CID 122080310
[2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 119468783

Frequently Asked Questions

What is the IUPAC name of [2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]-[4-(1H-imidazol-5-yl)phenyl]methanone?
The IUPAC name of [2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]-[4-(1H-imidazol-5-yl)phenyl]methanone (CID 167910047) is [2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]-[4-(1H-imidazol-5-yl)phenyl]methanone.
What is the SMILES notation for [2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]-[4-(1H-imidazol-5-yl)phenyl]methanone?
The canonical SMILES for [2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]-[4-(1H-imidazol-5-yl)phenyl]methanone is NCC1(C2CCCCN2C(=O)c2ccc(-c3cnc[nH]3)cc2)CCC1.
What is the InChIKey of [2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]-[4-(1H-imidazol-5-yl)phenyl]methanone?
The InChIKey is HBIOPCOOJQEEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c21-13-20(9-3-10-20)18-4-1-2-11-24(18)19(25)16-7-5-15(6-8-16)17-12-22-14-23-17/h5-8,12,14,18H,1-4,9-11,13,21H2,(H,22,23).
What are the key properties of [2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]-[4-(1H-imidazol-5-yl)phenyl]methanone?
[2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]-[4-(1H-imidazol-5-yl)phenyl]methanone has a molecular weight of 338.45 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]-[4-(1H-imidazol-5-yl)phenyl]methanone is sourced from PubChem (CID 167910047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).