1-(4-ethylpiperazin-1-yl)-3-[1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]piperidin-4-yl]propan-1-one

C23H38N4O — CID 25275991

IUPAC1-(4-ethylpiperazin-1-yl)-3-[1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]piperidin-4-yl]propan-1-one
SMILESCCN1CCN(C(=O)CCC2CCN([C@@H](C)Cc3cc(C)ccn3)CC2)CC1
InChIInChI=1S/C23H38N4O/c1-4-25-13-15-27(16-14-25)23(28)6-5-21-8-11-26(12-9-21)20(3)18-22-17-19(2)7-10-24-22/h7,10,17,20-21H,4-6,8-9,11-16,18H2,1-3H3/t20-/m0/s1
InChIKeyMFYUHWTYMVZORB-FQEVSTJZSA-N
MW386.58 g/mol
LogP2.98
Rot. Bonds7

About 1-(4-ethylpiperazin-1-yl)-3-[1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]piperidin-4-yl]propan-1-one

1-(4-ethylpiperazin-1-yl)-3-[1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]piperidin-4-yl]propan-1-one (PubChem CID 25275991) has the molecular formula C23H38N4O and a molecular weight of 386.58 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-[1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-[1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]piperidin-4-yl]propan-1-one
PubChem CID25275991
Molecular FormulaC23H38N4O
Molecular Weight386.58 g/mol
Exact Mass386.30
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-[1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]piperidin-4-yl]propan-1-one
SMILESCCN1CCN(C(=O)CCC2CCN([C@@H](C)Cc3cc(C)ccn3)CC2)CC1
InChIInChI=1S/C23H38N4O/c1-4-25-13-15-27(16-14-25)23(28)6-5-21-8-11-26(12-9-21)20(3)18-22-17-19(2)7-10-24-22/h7,10,17,20-21H,4-6,8-9,11-16,18H2,1-3H3/t20-/m0/s1
InChIKeyMFYUHWTYMVZORB-FQEVSTJZSA-N
XLogP2.98
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-[1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]piperidin-4-yl]propan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-[1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]piperidin-4-yl]propan-1-one (CID 25275991) is 1-(4-ethylpiperazin-1-yl)-3-[1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]piperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-[1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]piperidin-4-yl]propan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-[1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]piperidin-4-yl]propan-1-one is CCN1CCN(C(=O)CCC2CCN([C@@H](C)Cc3cc(C)ccn3)CC2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-[1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]piperidin-4-yl]propan-1-one?
The InChIKey is MFYUHWTYMVZORB-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H38N4O/c1-4-25-13-15-27(16-14-25)23(28)6-5-21-8-11-26(12-9-21)20(3)18-22-17-19(2)7-10-24-22/h7,10,17,20-21H,4-6,8-9,11-16,18H2,1-3H3/t20-/m0/s1.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-[1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]piperidin-4-yl]propan-1-one?
1-(4-ethylpiperazin-1-yl)-3-[1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]piperidin-4-yl]propan-1-one has a molecular weight of 386.58 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-3-[1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]piperidin-4-yl]propan-1-one is sourced from PubChem (CID 25275991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).