3-bromo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]propanamide

C17H24BrN3O2 — CID 19086860

IUPAC3-bromo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]propanamide
SMILESCCC(=O)NC1CCN(c2ccc(NC(=O)CCBr)cc2)CC1
InChIInChI=1S/C17H24BrN3O2/c1-2-16(22)19-14-8-11-21(12-9-14)15-5-3-13(4-6-15)20-17(23)7-10-18/h3-6,14H,2,7-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyQYPLFLUYGGIUMG-UHFFFAOYSA-N
MW382.30 g/mol
LogP2.91
Rot. Bonds6

About 3-bromo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]propanamide

3-bromo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]propanamide (PubChem CID 19086860) has the molecular formula C17H24BrN3O2 and a molecular weight of 382.30 g/mol. Its IUPAC name is 3-bromo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]propanamide.

Molecular Properties

Compound Name3-bromo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]propanamide
PubChem CID19086860
Molecular FormulaC17H24BrN3O2
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC Name3-bromo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]propanamide
SMILESCCC(=O)NC1CCN(c2ccc(NC(=O)CCBr)cc2)CC1
InChIInChI=1S/C17H24BrN3O2/c1-2-16(22)19-14-8-11-21(12-9-14)15-5-3-13(4-6-15)20-17(23)7-10-18/h3-6,14H,2,7-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyQYPLFLUYGGIUMG-UHFFFAOYSA-N
XLogP2.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-[(4-piperidin-1-ylphenyl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide
CID 91321572
N-[4-(4-methoxypiperidin-1-yl)phenyl]butanamide
CID 90595801
N-cyclohexyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108942640
N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide
CID 711710
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
1-[4-(cyclopropanecarbonylamino)phenyl]-N-ethylpiperidine-4-carboxamide
CID 110668128
5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide
CID 43346973
3-acetamido-N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]propanamide
CID 110353273
N-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide
CID 112985401
3-methylsulfanyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 18165019
N-[4-(4-oxopiperidin-1-yl)phenyl]butanamide
CID 22220544

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]propanamide?
The IUPAC name of 3-bromo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]propanamide (CID 19086860) is 3-bromo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]propanamide.
What is the SMILES notation for 3-bromo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]propanamide?
The canonical SMILES for 3-bromo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]propanamide is CCC(=O)NC1CCN(c2ccc(NC(=O)CCBr)cc2)CC1.
What is the InChIKey of 3-bromo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]propanamide?
The InChIKey is QYPLFLUYGGIUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2/c1-2-16(22)19-14-8-11-21(12-9-14)15-5-3-13(4-6-15)20-17(23)7-10-18/h3-6,14H,2,7-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 3-bromo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]propanamide?
3-bromo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]propanamide has a molecular weight of 382.30 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]propanamide is sourced from PubChem (CID 19086860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).