2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)butanamide

C26H41N3O2 — CID 20973244

IUPAC2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)butanamide
SMILESCCC(C(=O)Nc1ccc(C(C)C)cc1)N1CCC(C(=O)N2CC(C)CC(C)C2)CC1
InChIInChI=1S/C26H41N3O2/c1-6-24(25(30)27-23-9-7-21(8-10-23)18(2)3)28-13-11-22(12-14-28)26(31)29-16-19(4)15-20(5)17-29/h7-10,18-20,22,24H,6,11-17H2,1-5H3,(H,27,30)
InChIKeyMPRMKWSIWYJWLY-UHFFFAOYSA-N
MW427.63 g/mol
LogP4.74
Rot. Bonds6

About 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)butanamide

2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)butanamide (PubChem CID 20973244) has the molecular formula C26H41N3O2 and a molecular weight of 427.63 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)butanamide
PubChem CID20973244
Molecular FormulaC26H41N3O2
Molecular Weight427.63 g/mol
Exact Mass427.32
IUPAC Name2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)butanamide
SMILESCCC(C(=O)Nc1ccc(C(C)C)cc1)N1CCC(C(=O)N2CC(C)CC(C)C2)CC1
InChIInChI=1S/C26H41N3O2/c1-6-24(25(30)27-23-9-7-21(8-10-23)18(2)3)28-13-11-22(12-14-28)26(31)29-16-19(4)15-20(5)17-29/h7-10,18-20,22,24H,6,11-17H2,1-5H3,(H,27,30)
InChIKeyMPRMKWSIWYJWLY-UHFFFAOYSA-N
XLogP4.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.63
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)butanamide?
The IUPAC name of 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)butanamide (CID 20973244) is 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)butanamide?
The canonical SMILES for 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)butanamide is CCC(C(=O)Nc1ccc(C(C)C)cc1)N1CCC(C(=O)N2CC(C)CC(C)C2)CC1.
What is the InChIKey of 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)butanamide?
The InChIKey is MPRMKWSIWYJWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O2/c1-6-24(25(30)27-23-9-7-21(8-10-23)18(2)3)28-13-11-22(12-14-28)26(31)29-16-19(4)15-20(5)17-29/h7-10,18-20,22,24H,6,11-17H2,1-5H3,(H,27,30).
What are the key properties of 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)butanamide?
2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)butanamide has a molecular weight of 427.63 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 20973244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).