(4-amino-2-methylpiperidin-1-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone

C19H30N4O — CID 122149103

IUPAC(4-amino-2-methylpiperidin-1-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
SMILESCC1CC(N)CCN1C(=O)c1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C19H30N4O/c1-15-13-18(20)7-8-23(15)19(24)17-5-3-16(4-6-17)14-22-11-9-21(2)10-12-22/h3-6,15,18H,7-14,20H2,1-2H3
InChIKeyPBXUHVMUXLIQPH-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.39
Rot. Bonds3

About (4-amino-2-methylpiperidin-1-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone

(4-amino-2-methylpiperidin-1-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone (PubChem CID 122149103) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is (4-amino-2-methylpiperidin-1-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name(4-amino-2-methylpiperidin-1-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
PubChem CID122149103
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name(4-amino-2-methylpiperidin-1-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
SMILESCC1CC(N)CCN1C(=O)c1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C19H30N4O/c1-15-13-18(20)7-8-23(15)19(24)17-5-3-16(4-6-17)14-22-11-9-21(2)10-12-22/h3-6,15,18H,7-14,20H2,1-2H3
InChIKeyPBXUHVMUXLIQPH-UHFFFAOYSA-N
XLogP1.39
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-amino-2-methylpiperidin-1-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone with MolForge

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Related Compounds

1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(4-benzylpiperazin-1-yl)ethanone
CID 124689394
4-[(2R,4S)-4-amino-2-methylpiperidine-1-carbonyl]benzonitrile
CID 124573728
[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 90653096
[2-(2-hydroxyethyl)piperidin-1-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 110903145
4-[(4-amino-2-methylpiperidin-1-yl)methyl]benzoic acid
CID 115312935
ethane;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 143662062
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(3,4,5-trifluorophenyl)phenyl]methanone
CID 124690117
[4-(1-aminoethyl)piperidin-1-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 119516982
ethane;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 142962243
(4-methylpiperazin-1-yl)-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone
CID 43924483
1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124691920
N-cyclopentyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide
CID 91373409

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylpiperidin-1-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
The IUPAC name of (4-amino-2-methylpiperidin-1-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone (CID 122149103) is (4-amino-2-methylpiperidin-1-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for (4-amino-2-methylpiperidin-1-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
The canonical SMILES for (4-amino-2-methylpiperidin-1-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone is CC1CC(N)CCN1C(=O)c1ccc(CN2CCN(C)CC2)cc1.
What is the InChIKey of (4-amino-2-methylpiperidin-1-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
The InChIKey is PBXUHVMUXLIQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-15-13-18(20)7-8-23(15)19(24)17-5-3-16(4-6-17)14-22-11-9-21(2)10-12-22/h3-6,15,18H,7-14,20H2,1-2H3.
What are the key properties of (4-amino-2-methylpiperidin-1-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
(4-amino-2-methylpiperidin-1-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone has a molecular weight of 330.48 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylpiperidin-1-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 122149103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).