formic acid;2-(4-methyl-3-phenylpiperazin-1-yl)-1-piperidin-1-ylethanone

C19H29N3O3 — CID 171688367

IUPACformic acid;2-(4-methyl-3-phenylpiperazin-1-yl)-1-piperidin-1-ylethanone
SMILESCN1CCN(CC(=O)N2CCCCC2)CC1c1ccccc1.O=CO
InChIInChI=1S/C18H27N3O.CH2O2/c1-19-12-13-20(14-17(19)16-8-4-2-5-9-16)15-18(22)21-10-6-3-7-11-21;2-1-3/h2,4-5,8-9,17H,3,6-7,10-15H2,1H3;1H,(H,2,3)
InChIKeyFQWCJMASXMILJN-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.69
Rot. Bonds3

About formic acid;2-(4-methyl-3-phenylpiperazin-1-yl)-1-piperidin-1-ylethanone

formic acid;2-(4-methyl-3-phenylpiperazin-1-yl)-1-piperidin-1-ylethanone (PubChem CID 171688367) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is formic acid;2-(4-methyl-3-phenylpiperazin-1-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Nameformic acid;2-(4-methyl-3-phenylpiperazin-1-yl)-1-piperidin-1-ylethanone
PubChem CID171688367
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nameformic acid;2-(4-methyl-3-phenylpiperazin-1-yl)-1-piperidin-1-ylethanone
SMILESCN1CCN(CC(=O)N2CCCCC2)CC1c1ccccc1.O=CO
InChIInChI=1S/C18H27N3O.CH2O2/c1-19-12-13-20(14-17(19)16-8-4-2-5-9-16)15-18(22)21-10-6-3-7-11-21;2-1-3/h2,4-5,8-9,17H,3,6-7,10-15H2,1H3;1H,(H,2,3)
InChIKeyFQWCJMASXMILJN-UHFFFAOYSA-N
XLogP1.69
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyl-3-phenylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 171387000
1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 77095873
2-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 124940322
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 120762004
4-methyl-3-phenylpiperazine-1-carbaldehyde
CID 175202957
[5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
CID 124758325
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-1-(azepan-1-yl)ethanone
CID 120759847
1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)ethanone chloride
CID 53350851
2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone
CID 141171395
methyl 4-methyl-3-phenylpiperazine-1-carboxylate
CID 110602881
1-[3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-6-phenylpiperidin-2-one
CID 3066233
(2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110602874

Frequently Asked Questions

What is the IUPAC name of formic acid;2-(4-methyl-3-phenylpiperazin-1-yl)-1-piperidin-1-ylethanone?
The IUPAC name of formic acid;2-(4-methyl-3-phenylpiperazin-1-yl)-1-piperidin-1-ylethanone (CID 171688367) is formic acid;2-(4-methyl-3-phenylpiperazin-1-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for formic acid;2-(4-methyl-3-phenylpiperazin-1-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for formic acid;2-(4-methyl-3-phenylpiperazin-1-yl)-1-piperidin-1-ylethanone is CN1CCN(CC(=O)N2CCCCC2)CC1c1ccccc1.O=CO.
What is the InChIKey of formic acid;2-(4-methyl-3-phenylpiperazin-1-yl)-1-piperidin-1-ylethanone?
The InChIKey is FQWCJMASXMILJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.CH2O2/c1-19-12-13-20(14-17(19)16-8-4-2-5-9-16)15-18(22)21-10-6-3-7-11-21;2-1-3/h2,4-5,8-9,17H,3,6-7,10-15H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;2-(4-methyl-3-phenylpiperazin-1-yl)-1-piperidin-1-ylethanone?
formic acid;2-(4-methyl-3-phenylpiperazin-1-yl)-1-piperidin-1-ylethanone has a molecular weight of 347.46 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-(4-methyl-3-phenylpiperazin-1-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 171688367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).