[4-[1-(1-decylpiperidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1-decylpiperidin-3-yl)methanone

C42H78N4O2 — CID 10372300

IUPAC[4-[1-(1-decylpiperidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1-decylpiperidin-3-yl)methanone
SMILESCCCCCCCCCCN1CCCC(C(=O)N2CCC(C3CCN(C(=O)C4CCCN(CCCCCCCCCC)C4)CC3)CC2)C1
InChIInChI=1S/C42H78N4O2/c1-3-5-7-9-11-13-15-17-27-43-29-19-21-39(35-43)41(47)45-31-23-37(24-32-45)38-25-33-46(34-26-38)42(48)40-22-20-30-44(36-40)28-18-16-14-12-10-8-6-4-2/h37-40H,3-36H2,1-2H3
InChIKeySFEXPBFQTJEMMJ-UHFFFAOYSA-N
MW671.11 g/mol
LogP9.17
Rot. Bonds21

About [4-[1-(1-decylpiperidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1-decylpiperidin-3-yl)methanone

[4-[1-(1-decylpiperidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1-decylpiperidin-3-yl)methanone (PubChem CID 10372300) has the molecular formula C42H78N4O2 and a molecular weight of 671.11 g/mol. Its IUPAC name is [4-[1-(1-decylpiperidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1-decylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[4-[1-(1-decylpiperidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1-decylpiperidin-3-yl)methanone
PubChem CID10372300
Molecular FormulaC42H78N4O2
Molecular Weight671.11 g/mol
Exact Mass670.61
IUPAC Name[4-[1-(1-decylpiperidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1-decylpiperidin-3-yl)methanone
SMILESCCCCCCCCCCN1CCCC(C(=O)N2CCC(C3CCN(C(=O)C4CCCN(CCCCCCCCCC)C4)CC3)CC2)C1
InChIInChI=1S/C42H78N4O2/c1-3-5-7-9-11-13-15-17-27-43-29-19-21-39(35-43)41(47)45-31-23-37(24-32-45)38-25-33-46(34-26-38)42(48)40-22-20-30-44(36-40)28-18-16-14-12-10-8-6-4-2/h37-40H,3-36H2,1-2H3
InChIKeySFEXPBFQTJEMMJ-UHFFFAOYSA-N
XLogP9.17
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.11
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[1-(1-decylpiperidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1-decylpiperidin-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[1-(1-decylpiperidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1-decylpiperidin-3-yl)methanone?
The IUPAC name of [4-[1-(1-decylpiperidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1-decylpiperidin-3-yl)methanone (CID 10372300) is [4-[1-(1-decylpiperidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1-decylpiperidin-3-yl)methanone.
What is the SMILES notation for [4-[1-(1-decylpiperidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1-decylpiperidin-3-yl)methanone?
The canonical SMILES for [4-[1-(1-decylpiperidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1-decylpiperidin-3-yl)methanone is CCCCCCCCCCN1CCCC(C(=O)N2CCC(C3CCN(C(=O)C4CCCN(CCCCCCCCCC)C4)CC3)CC2)C1.
What is the InChIKey of [4-[1-(1-decylpiperidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1-decylpiperidin-3-yl)methanone?
The InChIKey is SFEXPBFQTJEMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H78N4O2/c1-3-5-7-9-11-13-15-17-27-43-29-19-21-39(35-43)41(47)45-31-23-37(24-32-45)38-25-33-46(34-26-38)42(48)40-22-20-30-44(36-40)28-18-16-14-12-10-8-6-4-2/h37-40H,3-36H2,1-2H3.
What are the key properties of [4-[1-(1-decylpiperidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1-decylpiperidin-3-yl)methanone?
[4-[1-(1-decylpiperidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1-decylpiperidin-3-yl)methanone has a molecular weight of 671.11 g/mol, XLogP of 9.17, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(1-decylpiperidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(1-decylpiperidin-3-yl)methanone is sourced from PubChem (CID 10372300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).