[4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride

C22H30Cl2N4O — CID 119625279

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride
SMILESCN(c1ccccc1)c1ccc(C(=O)N2CCC(NCC3CC3)CC2)cn1.Cl.Cl
InChIInChI=1S/C22H28N4O.2ClH/c1-25(20-5-3-2-4-6-20)21-10-9-18(16-24-21)22(27)26-13-11-19(12-14-26)23-15-17-7-8-17;;/h2-6,9-10,16-17,19,23H,7-8,11-15H2,1H3;2*1H
InChIKeyLVCBQTMRJILZBV-UHFFFAOYSA-N
MW437.42 g/mol
LogP4.30
Rot. Bonds6

About [4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride

[4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride (PubChem CID 119625279) has the molecular formula C22H30Cl2N4O and a molecular weight of 437.42 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride
PubChem CID119625279
Molecular FormulaC22H30Cl2N4O
Molecular Weight437.42 g/mol
Exact Mass436.18
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride
SMILESCN(c1ccccc1)c1ccc(C(=O)N2CCC(NCC3CC3)CC2)cn1.Cl.Cl
InChIInChI=1S/C22H28N4O.2ClH/c1-25(20-5-3-2-4-6-20)21-10-9-18(16-24-21)22(27)26-13-11-19(12-14-26)23-15-17-7-8-17;;/h2-6,9-10,16-17,19,23H,7-8,11-15H2,1H3;2*1H
InChIKeyLVCBQTMRJILZBV-UHFFFAOYSA-N
XLogP4.30
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride with MolForge

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Related Compounds

(3-aminopiperidin-1-yl)-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride
CID 119381632
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride
CID 119624921
[6-(diethylamino)-3-pyridinyl]-[4-(N-methylanilino)piperidin-1-yl]methanone
CID 48679733
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethoxyphenyl)methanone;hydrochloride
CID 119624568
[4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 119624681
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methylsulfanylphenyl)methanone;hydrochloride
CID 119621694
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dichlorophenyl)methanone;hydrochloride
CID 119621638
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 81483492
[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride
CID 119623132
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride
CID 119622726
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-iodo-4-methylphenyl)methanone;hydrochloride
CID 119625200
[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56746243

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride (CID 119625279) is [4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride is CN(c1ccccc1)c1ccc(C(=O)N2CCC(NCC3CC3)CC2)cn1.Cl.Cl.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride?
The InChIKey is LVCBQTMRJILZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O.2ClH/c1-25(20-5-3-2-4-6-20)21-10-9-18(16-24-21)22(27)26-13-11-19(12-14-26)23-15-17-7-8-17;;/h2-6,9-10,16-17,19,23H,7-8,11-15H2,1H3;2*1H.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride?
[4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride has a molecular weight of 437.42 g/mol, XLogP of 4.30, 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]-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride is sourced from PubChem (CID 119625279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).