4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(quinolin-4-ylmethyl)piperidine-1-carboxamide

C21H25N5O2 — CID 124594620

IUPAC4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(quinolin-4-ylmethyl)piperidine-1-carboxamide
SMILESCn1ccnc1[C@@H](O)C1CCN(C(=O)NCc2ccnc3ccccc23)CC1
InChIInChI=1S/C21H25N5O2/c1-25-13-10-23-20(25)19(27)15-7-11-26(12-8-15)21(28)24-14-16-6-9-22-18-5-3-2-4-17(16)18/h2-6,9-10,13,15,19,27H,7-8,11-12,14H2,1H3,(H,24,28)/t19-/m0/s1
InChIKeyHRXKZZZOYQEXSU-IBGZPJMESA-N
MW379.46 g/mol
LogP2.62
Rot. Bonds4

About 4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(quinolin-4-ylmethyl)piperidine-1-carboxamide

4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(quinolin-4-ylmethyl)piperidine-1-carboxamide (PubChem CID 124594620) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(quinolin-4-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(quinolin-4-ylmethyl)piperidine-1-carboxamide
PubChem CID124594620
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(quinolin-4-ylmethyl)piperidine-1-carboxamide
SMILESCn1ccnc1[C@@H](O)C1CCN(C(=O)NCc2ccnc3ccccc23)CC1
InChIInChI=1S/C21H25N5O2/c1-25-13-10-23-20(25)19(27)15-7-11-26(12-8-15)21(28)24-14-16-6-9-22-18-5-3-2-4-17(16)18/h2-6,9-10,13,15,19,27H,7-8,11-12,14H2,1H3,(H,24,28)/t19-/m0/s1
InChIKeyHRXKZZZOYQEXSU-IBGZPJMESA-N
XLogP2.62
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(quinolin-4-ylmethyl)piperidine-1-carboxamide 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~{s})-1-(3,4-Dihydro-1~{h}-Isoquinolin-2-Yl)-3-[[4-(3-Methylbenzimidazol-5-Yl)pyridin-2-Yl]amino]propan-2-Ol
CID 90335209
1-(9H-pyrido[3,4-b]indol-1-yl)piperidin-3-ol
CID 44395907
(2R)-2-[[9-propan-2-yl-6-[(4-pyridin-3-ylphenyl)methylamino]purin-2-yl]amino]butan-1-ol
CID 9802824
(2R)-3-methyl-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butan-1-ol
CID 25052988
1-(3,4-Dihydroisoquinolin-2(1H)-yl)-3-((4-(1-methyl-1H-benzo[d]imidazol-6-yl)pyridin-2-yl)amino)propan-2-ol
CID 86729258
US11535615, Example 18
CID 129244872
8-(2-Aminopyrimidin-5-yl)-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379523
(2R)-2-[[9-propan-2-yl-6-[(3-pyridin-3-ylphenyl)methylamino]purin-2-yl]amino]butan-1-ol
CID 25052986
(2R)-3-methyl-2-[[9-propan-2-yl-6-[(4-pyridin-3-ylphenyl)methylamino]purin-2-yl]amino]butan-1-ol
CID 25053057
(2R)-3-methyl-2-[[9-propan-2-yl-6-(3-pyridin-2-ylanilino)purin-2-yl]amino]butan-1-ol
CID 25053060
(2R)-2-[[9-propan-2-yl-6-(3-pyridin-3-ylanilino)purin-2-yl]amino]butan-1-ol
CID 25053062
(2R)-3-methyl-2-[[9-propan-2-yl-6-(3-pyridin-3-ylanilino)purin-2-yl]amino]butan-1-ol
CID 25053128

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(quinolin-4-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(quinolin-4-ylmethyl)piperidine-1-carboxamide (CID 124594620) is 4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(quinolin-4-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(quinolin-4-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(quinolin-4-ylmethyl)piperidine-1-carboxamide is Cn1ccnc1[C@@H](O)C1CCN(C(=O)NCc2ccnc3ccccc23)CC1.
What is the InChIKey of 4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(quinolin-4-ylmethyl)piperidine-1-carboxamide?
The InChIKey is HRXKZZZOYQEXSU-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25N5O2/c1-25-13-10-23-20(25)19(27)15-7-11-26(12-8-15)21(28)24-14-16-6-9-22-18-5-3-2-4-17(16)18/h2-6,9-10,13,15,19,27H,7-8,11-12,14H2,1H3,(H,24,28)/t19-/m0/s1.
What are the key properties of 4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(quinolin-4-ylmethyl)piperidine-1-carboxamide?
4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(quinolin-4-ylmethyl)piperidine-1-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(quinolin-4-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 124594620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).