1-(4-cyclopentylpiperazin-1-yl)-2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]ethanone

C23H42N4O — CID 57442414

IUPAC1-(4-cyclopentylpiperazin-1-yl)-2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]ethanone
SMILESCCCN(CC1CC1)C1CCN(CC(=O)N2CCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C23H42N4O/c1-2-11-27(18-20-7-8-20)22-9-12-24(13-10-22)19-23(28)26-16-14-25(15-17-26)21-5-3-4-6-21/h20-22H,2-19H2,1H3
InChIKeySDXMYTUKHNAZIE-UHFFFAOYSA-N
MW390.62 g/mol
LogP2.66
Rot. Bonds8

About 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]ethanone

1-(4-cyclopentylpiperazin-1-yl)-2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]ethanone (PubChem CID 57442414) has the molecular formula C23H42N4O and a molecular weight of 390.62 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]ethanone
PubChem CID57442414
Molecular FormulaC23H42N4O
Molecular Weight390.62 g/mol
Exact Mass390.34
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]ethanone
SMILESCCCN(CC1CC1)C1CCN(CC(=O)N2CCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C23H42N4O/c1-2-11-27(18-20-7-8-20)22-9-12-24(13-10-22)19-23(28)26-16-14-25(15-17-26)21-5-3-4-6-21/h20-22H,2-19H2,1H3
InChIKeySDXMYTUKHNAZIE-UHFFFAOYSA-N
XLogP2.66
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.62
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]ethanone (CID 57442414) is 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]ethanone is CCCN(CC1CC1)C1CCN(CC(=O)N2CCN(C3CCCC3)CC2)CC1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]ethanone?
The InChIKey is SDXMYTUKHNAZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N4O/c1-2-11-27(18-20-7-8-20)22-9-12-24(13-10-22)19-23(28)26-16-14-25(15-17-26)21-5-3-4-6-21/h20-22H,2-19H2,1H3.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]ethanone?
1-(4-cyclopentylpiperazin-1-yl)-2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]ethanone has a molecular weight of 390.62 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 57442414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).