[4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride

C22H29Cl2N3O2 — CID 119622551

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride
SMILESCOc1ccc(-c2cncc(C(=O)N3CCC(NCC4CC4)CC3)c2)cc1.Cl.Cl
InChIInChI=1S/C22H27N3O2.2ClH/c1-27-21-6-4-17(5-7-21)18-12-19(15-23-14-18)22(26)25-10-8-20(9-11-25)24-13-16-2-3-16;;/h4-7,12,14-16,20,24H,2-3,8-11,13H2,1H3;2*1H
InChIKeyHUTMUZHAIOSGLA-UHFFFAOYSA-N
MW438.40 g/mol
LogP4.20
Rot. Bonds6

About [4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride

[4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride (PubChem CID 119622551) has the molecular formula C22H29Cl2N3O2 and a molecular weight of 438.40 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride
PubChem CID119622551
Molecular FormulaC22H29Cl2N3O2
Molecular Weight438.40 g/mol
Exact Mass437.16
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride
SMILESCOc1ccc(-c2cncc(C(=O)N3CCC(NCC4CC4)CC3)c2)cc1.Cl.Cl
InChIInChI=1S/C22H27N3O2.2ClH/c1-27-21-6-4-17(5-7-21)18-12-19(15-23-14-18)22(26)25-10-8-20(9-11-25)24-13-16-2-3-16;;/h4-7,12,14-16,20,24H,2-3,8-11,13H2,1H3;2*1H
InChIKeyHUTMUZHAIOSGLA-UHFFFAOYSA-N
XLogP4.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride with MolForge

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Related Compounds

3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride
CID 119636013
(4-methoxy-4-methylpiperidin-1-yl)-[5-(4-methoxyphenyl)-3-pyridinyl]methanone
CID 146125670
[5-[4-(dimethylamino)phenyl]-3-pyridinyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119648513
[4-(methylamino)piperidin-1-yl]-(5-phenyl-3-pyridinyl)methanone
CID 119561943
(3S)-1-[5-(4-methoxyphenyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 120514160
[5-(4-methoxyphenyl)-3-pyridinyl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620498
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethoxyphenyl)methanone;hydrochloride
CID 119624568
N-(4-aminocyclohexyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride
CID 119475519
(4-methylpiperidin-1-yl)-[5-(4-phenoxyphenyl)-3-pyridinyl]methanone
CID 46032979
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dichlorophenyl)methanone;hydrochloride
CID 119621638
(4-bromo-3,5-dimethoxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119621609
N-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide;hydrochloride
CID 119623179

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride (CID 119622551) is [4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride is COc1ccc(-c2cncc(C(=O)N3CCC(NCC4CC4)CC3)c2)cc1.Cl.Cl.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride?
The InChIKey is HUTMUZHAIOSGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.2ClH/c1-27-21-6-4-17(5-7-21)18-12-19(15-23-14-18)22(26)25-10-8-20(9-11-25)24-13-16-2-3-16;;/h4-7,12,14-16,20,24H,2-3,8-11,13H2,1H3;2*1H.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride?
[4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride has a molecular weight of 438.40 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride is sourced from PubChem (CID 119622551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).