N-cyclopropyl-3-[1-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperidin-4-yl]propanamide

C23H30N2O3 — CID 24790188

IUPACN-cyclopropyl-3-[1-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperidin-4-yl]propanamide
SMILESCC(C)(O)C#Cc1ccc(C(=O)N2CCC(CCC(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C23H30N2O3/c1-23(2,28)14-11-17-3-6-19(7-4-17)22(27)25-15-12-18(13-16-25)5-10-21(26)24-20-8-9-20/h3-4,6-7,18,20,28H,5,8-10,12-13,15-16H2,1-2H3,(H,24,26)
InChIKeyPTGDZBYFOKEBPZ-UHFFFAOYSA-N
MW382.50 g/mol
LogP2.72
Rot. Bonds5

About N-cyclopropyl-3-[1-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperidin-4-yl]propanamide

N-cyclopropyl-3-[1-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperidin-4-yl]propanamide (PubChem CID 24790188) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperidin-4-yl]propanamide
PubChem CID24790188
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-cyclopropyl-3-[1-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperidin-4-yl]propanamide
SMILESCC(C)(O)C#Cc1ccc(C(=O)N2CCC(CCC(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C23H30N2O3/c1-23(2,28)14-11-17-3-6-19(7-4-17)22(27)25-15-12-18(13-16-25)5-10-21(26)24-20-8-9-20/h3-4,6-7,18,20,28H,5,8-10,12-13,15-16H2,1-2H3,(H,24,26)
InChIKeyPTGDZBYFOKEBPZ-UHFFFAOYSA-N
XLogP2.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-benzylpiperazin-4-ium-1-yl)-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone
CID 6982704
3-cyclohexyl-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]propanamide
CID 108555654
N-cyclopropyl-3-[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]propanamide
CID 26397692
N-cyclopropyl-3-[1-(3-morpholin-4-ylbenzoyl)piperidin-4-yl]propanamide
CID 42292108
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone
CID 1070449
[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 133126113
4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide
CID 108563549
N-cyclopropyl-3-[(3S)-1-(4-propan-2-yloxybenzoyl)piperidin-3-yl]propanamide
CID 42308218
N-cyclopropyl-3-[1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]propanamide
CID 42240244
3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 110821216
3-chloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]propanamide
CID 108567076
3-chloro-N-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide
CID 108563487

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperidin-4-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[1-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperidin-4-yl]propanamide (CID 24790188) is N-cyclopropyl-3-[1-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[1-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperidin-4-yl]propanamide is CC(C)(O)C#Cc1ccc(C(=O)N2CCC(CCC(=O)NC3CC3)CC2)cc1.
What is the InChIKey of N-cyclopropyl-3-[1-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperidin-4-yl]propanamide?
The InChIKey is PTGDZBYFOKEBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-23(2,28)14-11-17-3-6-19(7-4-17)22(27)25-15-12-18(13-16-25)5-10-21(26)24-20-8-9-20/h3-4,6-7,18,20,28H,5,8-10,12-13,15-16H2,1-2H3,(H,24,26).
What are the key properties of N-cyclopropyl-3-[1-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperidin-4-yl]propanamide?
N-cyclopropyl-3-[1-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperidin-4-yl]propanamide has a molecular weight of 382.50 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 24790188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).