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

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

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

Launch Full Analysis

Related Compounds

2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(3-methoxyphenyl)butanamide
CID 20973241
2-(3,5-dimethylpiperidin-1-yl)-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
CID 4130031
ethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 26288905
1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 45235641
N-(4-tert-butylphenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanamide
CID 55832940
(3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 4191222
N-(4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 42927379
2-(4-methylpiperazin-1-yl)-4-oxo-N,4-bis(4-propan-2-ylphenyl)butanamide
CID 90677123
4-methyl-N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]cyclohexane-1-carboxamide
CID 7064719
(1-butan-2-ylpiperidin-4-yl)-[4-(5-propan-2-ylpyridine-2-carbonyl)piperazin-1-yl]methanone
CID 166111975
[(3S)-3-methylpiperidin-1-yl]-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methanone
CID 1096649
(2R)-N-(4-chlorophenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 98319058

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).