1-(4-cyclohexylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone

C23H44N4O — CID 57442644

IUPAC1-(4-cyclohexylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone
SMILESCCCN(CCC)C1CCN(CC(=O)N2CCN(C3CCCCC3)CC2)CC1
InChIInChI=1S/C23H44N4O/c1-3-12-25(13-4-2)22-10-14-24(15-11-22)20-23(28)27-18-16-26(17-19-27)21-8-6-5-7-9-21/h21-22H,3-20H2,1-2H3
InChIKeyDKXZHZNZATVCHO-UHFFFAOYSA-N
MW392.63 g/mol
LogP3.05
Rot. Bonds8

About 1-(4-cyclohexylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone

1-(4-cyclohexylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone (PubChem CID 57442644) has the molecular formula C23H44N4O and a molecular weight of 392.63 g/mol. Its IUPAC name is 1-(4-cyclohexylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclohexylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone
PubChem CID57442644
Molecular FormulaC23H44N4O
Molecular Weight392.63 g/mol
Exact Mass392.35
IUPAC Name1-(4-cyclohexylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone
SMILESCCCN(CCC)C1CCN(CC(=O)N2CCN(C3CCCCC3)CC2)CC1
InChIInChI=1S/C23H44N4O/c1-3-12-25(13-4-2)22-10-14-24(15-11-22)20-23(28)27-18-16-26(17-19-27)21-8-6-5-7-9-21/h21-22H,3-20H2,1-2H3
InChIKeyDKXZHZNZATVCHO-UHFFFAOYSA-N
XLogP3.05
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.63
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone (CID 57442644) is 1-(4-cyclohexylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-cyclohexylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(4-cyclohexylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone is CCCN(CCC)C1CCN(CC(=O)N2CCN(C3CCCCC3)CC2)CC1.
What is the InChIKey of 1-(4-cyclohexylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone?
The InChIKey is DKXZHZNZATVCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4O/c1-3-12-25(13-4-2)22-10-14-24(15-11-22)20-23(28)27-18-16-26(17-19-27)21-8-6-5-7-9-21/h21-22H,3-20H2,1-2H3.
What are the key properties of 1-(4-cyclohexylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone?
1-(4-cyclohexylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone has a molecular weight of 392.63 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 57442644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).