(5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride

C19H34Cl2N6O — CID 119860038

IUPAC(5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
SMILESCc1c(C(=O)N2CCCC2CN2CCCCC2)nnn1C1CCNCC1.Cl.Cl
InChIInChI=1S/C19H32N6O.2ClH/c1-15-18(21-22-25(15)16-7-9-20-10-8-16)19(26)24-13-5-6-17(24)14-23-11-3-2-4-12-23;;/h16-17,20H,2-14H2,1H3;2*1H
InChIKeyRSIMPOHNJRASFM-UHFFFAOYSA-N
MW433.43 g/mol
LogP2.45
Rot. Bonds4

About (5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride

(5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride (PubChem CID 119860038) has the molecular formula C19H34Cl2N6O and a molecular weight of 433.43 g/mol. Its IUPAC name is (5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
PubChem CID119860038
Molecular FormulaC19H34Cl2N6O
Molecular Weight433.43 g/mol
Exact Mass432.22
IUPAC Name(5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
SMILESCc1c(C(=O)N2CCCC2CN2CCCCC2)nnn1C1CCNCC1.Cl.Cl
InChIInChI=1S/C19H32N6O.2ClH/c1-15-18(21-22-25(15)16-7-9-20-10-8-16)19(26)24-13-5-6-17(24)14-23-11-3-2-4-12-23;;/h16-17,20H,2-14H2,1H3;2*1H
InChIKeyRSIMPOHNJRASFM-UHFFFAOYSA-N
XLogP2.45
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 124698009
[3-(azepan-1-ylmethyl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119875709
[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119748666
(5-methyl-1-piperidin-4-yltriazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119721578
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 119721741
[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119816937
(5-methyl-1-piperidin-4-yltriazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 119721579
[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 124695855
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone
CID 124701146
(4-ethylazepan-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119794876
[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 124697618
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119788299

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
The IUPAC name of (5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride (CID 119860038) is (5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride is Cc1c(C(=O)N2CCCC2CN2CCCCC2)nnn1C1CCNCC1.Cl.Cl.
What is the InChIKey of (5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
The InChIKey is RSIMPOHNJRASFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O.2ClH/c1-15-18(21-22-25(15)16-7-9-20-10-8-16)19(26)24-13-5-6-17(24)14-23-11-3-2-4-12-23;;/h16-17,20H,2-14H2,1H3;2*1H.
What are the key properties of (5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride has a molecular weight of 433.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119860038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).