1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one

C21H34N4O — CID 119436773

IUPAC1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(N2CCN(CCC(=O)N3CCCCC3C(C)N)CC2)c1
InChIInChI=1S/C21H34N4O/c1-17-6-5-7-19(16-17)24-14-12-23(13-15-24)11-9-21(26)25-10-4-3-8-20(25)18(2)22/h5-7,16,18,20H,3-4,8-15,22H2,1-2H3
InChIKeyYAMHPPQBMVCUDO-UHFFFAOYSA-N
MW358.53 g/mol
LogP2.24
Rot. Bonds5

About 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one

1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one (PubChem CID 119436773) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
PubChem CID119436773
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(N2CCN(CCC(=O)N3CCCCC3C(C)N)CC2)c1
InChIInChI=1S/C21H34N4O/c1-17-6-5-7-19(16-17)24-14-12-23(13-15-24)11-9-21(26)25-10-4-3-8-20(25)18(2)22/h5-7,16,18,20H,3-4,8-15,22H2,1-2H3
InChIKeyYAMHPPQBMVCUDO-UHFFFAOYSA-N
XLogP2.24
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-aminoethyl)piperidin-1-yl]-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 119437210
1-[2-(aminomethyl)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 119468706
1-(2-ethylpiperidin-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029372
1-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylic acid
CID 119349672
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 119402779
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119647186
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 119663793
1-(1,4-diazepan-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119417381
1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine
CID 173113720
(2S)-2-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoylamino]propanoic acid
CID 119943282
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-bromophenyl)propan-1-one;hydrochloride
CID 119436240

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one (CID 119436773) is 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one is Cc1cccc(N2CCN(CCC(=O)N3CCCCC3C(C)N)CC2)c1.
What is the InChIKey of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is YAMHPPQBMVCUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-17-6-5-7-19(16-17)24-14-12-23(13-15-24)11-9-21(26)25-10-4-3-8-20(25)18(2)22/h5-7,16,18,20H,3-4,8-15,22H2,1-2H3.
What are the key properties of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 358.53 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 119436773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).