[4-(methylamino)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride

C20H30ClN3O2 — CID 119563251

IUPAC[4-(methylamino)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)C2CCCN(C(=O)c3ccc(C)cc3)C2)CC1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-15-5-7-16(8-6-15)19(24)23-11-3-4-17(14-23)20(25)22-12-9-18(21-2)10-13-22;/h5-8,17-18,21H,3-4,9-14H2,1-2H3;1H
InChIKeyAYGJJHXCXNZLAZ-UHFFFAOYSA-N
MW379.93 g/mol
LogP2.48
Rot. Bonds3

About [4-(methylamino)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride

[4-(methylamino)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride (PubChem CID 119563251) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is [4-(methylamino)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(methylamino)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride
PubChem CID119563251
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name[4-(methylamino)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)C2CCCN(C(=O)c3ccc(C)cc3)C2)CC1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-15-5-7-16(8-6-15)19(24)23-11-3-4-17(14-23)20(25)22-12-9-18(21-2)10-13-22;/h5-8,17-18,21H,3-4,9-14H2,1-2H3;1H
InChIKeyAYGJJHXCXNZLAZ-UHFFFAOYSA-N
XLogP2.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(methylamino)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride with MolForge

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Related Compounds

methyl 1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 47027047
(3S)-1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136477
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 119412708
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride
CID 120656131
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797446
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 120815084
cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
CID 110346969
[4-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 119563390
(3-hydroxy-3-propan-2-ylazetidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 139006941

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride?
The IUPAC name of [4-(methylamino)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride (CID 119563251) is [4-(methylamino)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride.
What is the SMILES notation for [4-(methylamino)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride?
The canonical SMILES for [4-(methylamino)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride is CNC1CCN(C(=O)C2CCCN(C(=O)c3ccc(C)cc3)C2)CC1.Cl.
What is the InChIKey of [4-(methylamino)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride?
The InChIKey is AYGJJHXCXNZLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c1-15-5-7-16(8-6-15)19(24)23-11-3-4-17(14-23)20(25)22-12-9-18(21-2)10-13-22;/h5-8,17-18,21H,3-4,9-14H2,1-2H3;1H.
What are the key properties of [4-(methylamino)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride?
[4-(methylamino)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride is sourced from PubChem (CID 119563251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).