2-methyl-1-[4-[(2-methyl-4-propylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one

C18H35N3O — CID 177355504

IUPAC2-methyl-1-[4-[(2-methyl-4-propylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCCCN1CCN(CC2CCN(C(=O)C(C)C)CC2)C(C)C1
InChIInChI=1S/C18H35N3O/c1-5-8-19-11-12-21(16(4)13-19)14-17-6-9-20(10-7-17)18(22)15(2)3/h15-17H,5-14H2,1-4H3
InChIKeyZRMFSGYWBOAEFE-UHFFFAOYSA-N
MW309.50 g/mol
LogP2.30
Rot. Bonds5

About 2-methyl-1-[4-[(2-methyl-4-propylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one

2-methyl-1-[4-[(2-methyl-4-propylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 177355504) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is 2-methyl-1-[4-[(2-methyl-4-propylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[(2-methyl-4-propylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID177355504
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC Name2-methyl-1-[4-[(2-methyl-4-propylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCCCN1CCN(CC2CCN(C(=O)C(C)C)CC2)C(C)C1
InChIInChI=1S/C18H35N3O/c1-5-8-19-11-12-21(16(4)13-19)14-17-6-9-20(10-7-17)18(22)15(2)3/h15-17H,5-14H2,1-4H3
InChIKeyZRMFSGYWBOAEFE-UHFFFAOYSA-N
XLogP2.30
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[4-[(2-methyl-4-propylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

2-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 166113429
2-[4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]ethanamine
CID 166175443
2-[(3R)-4-(cyclobutylmethyl)-3-methylpiperazin-1-yl]acetic acid
CID 166175457
cyclobutyl-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 71784715
2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine
CID 170616884
2-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-propylpiperazine
CID 166466780
1-[4-(aminomethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 42562155
2-methyl-1-[4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 170613851
2-cyclopentyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
CID 71784724
2-methyl-1-[4-[[4-(propan-2-yloxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 165372802
4-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-2-methyl-1-propylpiperazine
CID 154670454
2-cyclohexyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
CID 71784735

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[(2-methyl-4-propylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[(2-methyl-4-propylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one (CID 177355504) is 2-methyl-1-[4-[(2-methyl-4-propylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[(2-methyl-4-propylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[(2-methyl-4-propylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one is CCCN1CCN(CC2CCN(C(=O)C(C)C)CC2)C(C)C1.
What is the InChIKey of 2-methyl-1-[4-[(2-methyl-4-propylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is ZRMFSGYWBOAEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O/c1-5-8-19-11-12-21(16(4)13-19)14-17-6-9-20(10-7-17)18(22)15(2)3/h15-17H,5-14H2,1-4H3.
What are the key properties of 2-methyl-1-[4-[(2-methyl-4-propylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one?
2-methyl-1-[4-[(2-methyl-4-propylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 309.50 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[(2-methyl-4-propylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 177355504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).