1-[4-(aminomethyl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride

C20H26Cl2N4O2 — CID 119855077

IUPAC1-[4-(aminomethyl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
SMILESCc1cccc(NC(=O)C2CCCN(C(=O)c3ccc(CN)cc3)C2)n1.Cl.Cl
InChIInChI=1S/C20H24N4O2.2ClH/c1-14-4-2-6-18(22-14)23-19(25)17-5-3-11-24(13-17)20(26)16-9-7-15(12-21)8-10-16;;/h2,4,6-10,17H,3,5,11-13,21H2,1H3,(H,22,23,25);2*1H
InChIKeySZYJPUGTNCXWTR-UHFFFAOYSA-N
MW425.36 g/mol
LogP3.18
Rot. Bonds4

About 1-[4-(aminomethyl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride

1-[4-(aminomethyl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride (PubChem CID 119855077) has the molecular formula C20H26Cl2N4O2 and a molecular weight of 425.36 g/mol. Its IUPAC name is 1-[4-(aminomethyl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-[4-(aminomethyl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
PubChem CID119855077
Molecular FormulaC20H26Cl2N4O2
Molecular Weight425.36 g/mol
Exact Mass424.14
IUPAC Name1-[4-(aminomethyl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
SMILESCc1cccc(NC(=O)C2CCCN(C(=O)c3ccc(CN)cc3)C2)n1.Cl.Cl
InChIInChI=1S/C20H24N4O2.2ClH/c1-14-4-2-6-18(22-14)23-19(25)17-5-3-11-24(13-17)20(26)16-9-7-15(12-21)8-10-16;;/h2,4,6-10,17H,3,5,11-13,21H2,1H3,(H,22,23,25);2*1H
InChIKeySZYJPUGTNCXWTR-UHFFFAOYSA-N
XLogP3.18
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 51188759
1-(2-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55813036
(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94638745
1-(3-amino-2-methylbutanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 120503103
tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 18107272
1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 120798482
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55815500
N-(6-methyl-2-pyridinyl)-1-(piperidine-4-carbonyl)piperidine-3-carboxamide
CID 119855048
1-(3-amino-3-phenylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 119953217
N-(6-methyl-2-pyridinyl)-1-(2-nitrobenzoyl)piperidine-3-carboxamide
CID 55815492
1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid
CID 61157537
(3R)-1-(3-ethylsulfanylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94638806

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of 1-[4-(aminomethyl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride (CID 119855077) is 1-[4-(aminomethyl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 1-[4-(aminomethyl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for 1-[4-(aminomethyl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride is Cc1cccc(NC(=O)C2CCCN(C(=O)c3ccc(CN)cc3)C2)n1.Cl.Cl.
What is the InChIKey of 1-[4-(aminomethyl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride?
The InChIKey is SZYJPUGTNCXWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2.2ClH/c1-14-4-2-6-18(22-14)23-19(25)17-5-3-11-24(13-17)20(26)16-9-7-15(12-21)8-10-16;;/h2,4,6-10,17H,3,5,11-13,21H2,1H3,(H,22,23,25);2*1H.
What are the key properties of 1-[4-(aminomethyl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride?
1-[4-(aminomethyl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride has a molecular weight of 425.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)benzoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119855077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).