[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride

C16H27ClN4O — CID 120638392

IUPAC[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
SMILESCc1nccn1CC1CCCN1C(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C16H26N4O.ClH/c1-12-10-14(5-6-17-12)16(21)20-8-3-4-15(20)11-19-9-7-18-13(19)2;/h7,9,12,14-15,17H,3-6,8,10-11H2,1-2H3;1H/t12-,14-,15?;/m0./s1
InChIKeyPBNSMKGSJNOXKI-CTRXAREFSA-N
MW326.87 g/mol
LogP1.99
Rot. Bonds3

About [2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride

[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride (PubChem CID 120638392) has the molecular formula C16H27ClN4O and a molecular weight of 326.87 g/mol. Its IUPAC name is [2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
PubChem CID120638392
Molecular FormulaC16H27ClN4O
Molecular Weight326.87 g/mol
Exact Mass326.19
IUPAC Name[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
SMILESCc1nccn1CC1CCCN1C(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C16H26N4O.ClH/c1-12-10-14(5-6-17-12)16(21)20-8-3-4-15(20)11-19-9-7-18-13(19)2;/h7,9,12,14-15,17H,3-6,8,10-11H2,1-2H3;1H/t12-,14-,15?;/m0./s1
InChIKeyPBNSMKGSJNOXKI-CTRXAREFSA-N
XLogP1.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone
CID 119897783
(2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120619708
[2-(hydroxymethyl)piperidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106738823
3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 120504283
7-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]heptan-1-one;dihydrochloride
CID 119897750
(3-aminophenyl)-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone;dihydrochloride
CID 119897776
[(2S,4S)-2-methylpiperidin-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120637820
(2S,4S)-N,2-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide;hydrochloride
CID 120639694
1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119897765
3-[1-(2-methylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid
CID 106739919
[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120624041
3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119954160

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride?
The IUPAC name of [2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride (CID 120638392) is [2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride.
What is the SMILES notation for [2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride?
The canonical SMILES for [2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride is Cc1nccn1CC1CCCN1C(=O)[C@H]1CCN[C@@H](C)C1.Cl.
What is the InChIKey of [2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride?
The InChIKey is PBNSMKGSJNOXKI-CTRXAREFSA-N. The full InChI is InChI=1S/C16H26N4O.ClH/c1-12-10-14(5-6-17-12)16(21)20-8-3-4-15(20)11-19-9-7-18-13(19)2;/h7,9,12,14-15,17H,3-6,8,10-11H2,1-2H3;1H/t12-,14-,15?;/m0./s1.
What are the key properties of [2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride?
[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 120638392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).