N-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenyl]acetamide

C16H21N3O — CID 43756950

IUPACN-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenyl]acetamide
SMILESC#CCN1CCC(Nc2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C16H21N3O/c1-3-10-19-11-8-16(9-12-19)18-15-6-4-14(5-7-15)17-13(2)20/h1,4-7,16,18H,8-12H2,2H3,(H,17,20)
InChIKeyRHHLNTSXQOYRJT-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.15
Rot. Bonds4

About N-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenyl]acetamide

N-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenyl]acetamide (PubChem CID 43756950) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenyl]acetamide
PubChem CID43756950
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenyl]acetamide
SMILESC#CCN1CCC(Nc2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C16H21N3O/c1-3-10-19-11-8-16(9-12-19)18-15-6-4-14(5-7-15)17-13(2)20/h1,4-7,16,18H,8-12H2,2H3,(H,17,20)
InChIKeyRHHLNTSXQOYRJT-UHFFFAOYSA-N
XLogP2.15
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenyl]acetamide 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

N-(3,4-dichlorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43760832
methyl 2-chloro-5-[(1-prop-2-ynylpiperidin-4-yl)amino]benzoate
CID 43778965
N-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43755634
N-[4-[(1-propylpiperidin-4-yl)amino]phenyl]propanamide
CID 43720611
2-methyl-5-[(1-prop-2-ynylpiperidin-4-yl)amino]benzenesulfonamide
CID 43767957
N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazol-6-amine
CID 43790640
1-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]ethanone
CID 43791036
N-(3-ethynylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43755521
N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-methylpropanamide
CID 43683732
N-(4-chloro-3-nitrophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43785748
N-(4-acetamidophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2697828
ethyl 2-[(1-prop-2-ynylpiperidin-4-yl)amino]benzoate
CID 43774654

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenyl]acetamide (CID 43756950) is N-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenyl]acetamide is C#CCN1CCC(Nc2ccc(NC(C)=O)cc2)CC1.
What is the InChIKey of N-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenyl]acetamide?
The InChIKey is RHHLNTSXQOYRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-10-19-11-8-16(9-12-19)18-15-6-4-14(5-7-15)17-13(2)20/h1,4-7,16,18H,8-12H2,2H3,(H,17,20).
What are the key properties of N-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenyl]acetamide?
N-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenyl]acetamide has a molecular weight of 271.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 43756950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).