1-[4-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one

C20H29N3O2 — CID 119470130

IUPAC1-[4-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESCC1CNCCN1C(=O)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C20H29N3O2/c1-16-15-21-11-14-23(16)20(25)18-9-12-22(13-10-18)19(24)8-7-17-5-3-2-4-6-17/h2-6,16,18,21H,7-15H2,1H3
InChIKeyHAOXJEOBZRWQEE-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.68
Rot. Bonds4

About 1-[4-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one

1-[4-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 119470130) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[4-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID119470130
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[4-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESCC1CNCCN1C(=O)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C20H29N3O2/c1-16-15-21-11-14-23(16)20(25)18-9-12-22(13-10-18)19(24)8-7-17-5-3-2-4-6-17/h2-6,16,18,21H,7-15H2,1H3
InChIKeyHAOXJEOBZRWQEE-UHFFFAOYSA-N
XLogP1.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzoylpiperidin-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472389
(2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride
CID 154896164
3-phenyl-1-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 120997056
1-(2-methylpiperazin-1-yl)-4-(2-phenylethoxy)butan-1-one
CID 119471180
1-(5-methyl-1,4-diazepan-1-yl)-3-phenylpropan-1-one
CID 82244369
1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 81478715
3-(4-methylphenyl)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 82705117
1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 6930824
3-(4-chlorophenyl)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 94993777
(4aR,7aR)-1-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 99794215
3-phenyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one
CID 82246033
3-(3-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 82297475

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one (CID 119470130) is 1-[4-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one is CC1CNCCN1C(=O)C1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is HAOXJEOBZRWQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16-15-21-11-14-23(16)20(25)18-9-12-22(13-10-18)19(24)8-7-17-5-3-2-4-6-17/h2-6,16,18,21H,7-15H2,1H3.
What are the key properties of 1-[4-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one?
1-[4-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 343.47 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 119470130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).