4-cyclohexyl-N-[3-[4-[3-(4-cyclohexylbutanoylamino)propyl]piperazin-1-yl]propyl]butanamide

C30H56N4O2 — CID 70429171

IUPAC4-cyclohexyl-N-[3-[4-[3-(4-cyclohexylbutanoylamino)propyl]piperazin-1-yl]propyl]butanamide
SMILESO=C(CCCC1CCCCC1)NCCCN1CCN(CCCNC(=O)CCCC2CCCCC2)CC1
InChIInChI=1S/C30H56N4O2/c35-29(17-7-15-27-11-3-1-4-12-27)31-19-9-21-33-23-25-34(26-24-33)22-10-20-32-30(36)18-8-16-28-13-5-2-6-14-28/h27-28H,1-26H2,(H,31,35)(H,32,36)
InChIKeyXINOYCWQEPMHOO-UHFFFAOYSA-N
MW504.80 g/mol
LogP5.12
Rot. Bonds16

About 4-cyclohexyl-N-[3-[4-[3-(4-cyclohexylbutanoylamino)propyl]piperazin-1-yl]propyl]butanamide

4-cyclohexyl-N-[3-[4-[3-(4-cyclohexylbutanoylamino)propyl]piperazin-1-yl]propyl]butanamide (PubChem CID 70429171) has the molecular formula C30H56N4O2 and a molecular weight of 504.80 g/mol. Its IUPAC name is 4-cyclohexyl-N-[3-[4-[3-(4-cyclohexylbutanoylamino)propyl]piperazin-1-yl]propyl]butanamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[3-[4-[3-(4-cyclohexylbutanoylamino)propyl]piperazin-1-yl]propyl]butanamide
PubChem CID70429171
Molecular FormulaC30H56N4O2
Molecular Weight504.80 g/mol
Exact Mass504.44
IUPAC Name4-cyclohexyl-N-[3-[4-[3-(4-cyclohexylbutanoylamino)propyl]piperazin-1-yl]propyl]butanamide
SMILESO=C(CCCC1CCCCC1)NCCCN1CCN(CCCNC(=O)CCCC2CCCCC2)CC1
InChIInChI=1S/C30H56N4O2/c35-29(17-7-15-27-11-3-1-4-12-27)31-19-9-21-33-23-25-34(26-24-33)22-10-20-32-30(36)18-8-16-28-13-5-2-6-14-28/h27-28H,1-26H2,(H,31,35)(H,32,36)
InChIKeyXINOYCWQEPMHOO-UHFFFAOYSA-N
XLogP5.12
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.80
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-cyclohexyl-N-[3-[4-[3-(4-cyclohexylbutanoylamino)propyl]piperazin-1-yl]propyl]butanamide with MolForge

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Related Compounds

3-(4-cyclohexylbutanoylamino)propanoic acid
CID 43241269
N-(3-aminopropyl)-4-cyclopentylbutanamide
CID 119409090
3-cyclopentyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide
CID 39539501
6-(4-cyclopentylbutanoylamino)hexanoic acid
CID 119220158
4-chloro-N-(3-cyclopentylpropyl)butanamide
CID 106009634
4-(3-cyclodecylpropylamino)-4-oxobutanoic acid
CID 146506489
3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
CID 5183874
5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid
CID 43579827
2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393131
2-(4-cyclohexylbutanoylamino)acetic acid
CID 15704415
3-chloro-N-(3-piperidin-1-ylpropyl)propanamide
CID 43346643
N-[3-[4-[3-(octadecanoylamino)propyl]piperazin-1-yl]propyl]octadecanamide
CID 54494521

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[3-[4-[3-(4-cyclohexylbutanoylamino)propyl]piperazin-1-yl]propyl]butanamide?
The IUPAC name of 4-cyclohexyl-N-[3-[4-[3-(4-cyclohexylbutanoylamino)propyl]piperazin-1-yl]propyl]butanamide (CID 70429171) is 4-cyclohexyl-N-[3-[4-[3-(4-cyclohexylbutanoylamino)propyl]piperazin-1-yl]propyl]butanamide.
What is the SMILES notation for 4-cyclohexyl-N-[3-[4-[3-(4-cyclohexylbutanoylamino)propyl]piperazin-1-yl]propyl]butanamide?
The canonical SMILES for 4-cyclohexyl-N-[3-[4-[3-(4-cyclohexylbutanoylamino)propyl]piperazin-1-yl]propyl]butanamide is O=C(CCCC1CCCCC1)NCCCN1CCN(CCCNC(=O)CCCC2CCCCC2)CC1.
What is the InChIKey of 4-cyclohexyl-N-[3-[4-[3-(4-cyclohexylbutanoylamino)propyl]piperazin-1-yl]propyl]butanamide?
The InChIKey is XINOYCWQEPMHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56N4O2/c35-29(17-7-15-27-11-3-1-4-12-27)31-19-9-21-33-23-25-34(26-24-33)22-10-20-32-30(36)18-8-16-28-13-5-2-6-14-28/h27-28H,1-26H2,(H,31,35)(H,32,36).
What are the key properties of 4-cyclohexyl-N-[3-[4-[3-(4-cyclohexylbutanoylamino)propyl]piperazin-1-yl]propyl]butanamide?
4-cyclohexyl-N-[3-[4-[3-(4-cyclohexylbutanoylamino)propyl]piperazin-1-yl]propyl]butanamide has a molecular weight of 504.80 g/mol, XLogP of 5.12, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[3-[4-[3-(4-cyclohexylbutanoylamino)propyl]piperazin-1-yl]propyl]butanamide is sourced from PubChem (CID 70429171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).