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

C16H28N4O — CID 43782791

IUPACN-methyl-2-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]acetamide
SMILESC#CCN1CCC(NC2CCN(CC(=O)NC)CC2)CC1
InChIInChI=1S/C16H28N4O/c1-3-8-19-9-4-14(5-10-19)18-15-6-11-20(12-7-15)13-16(21)17-2/h1,14-15,18H,4-13H2,2H3,(H,17,21)
InChIKeyFXUUXOCJIMJCPB-UHFFFAOYSA-N
MW292.43 g/mol
LogP-0.12
Rot. Bonds5

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

N-methyl-2-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]acetamide (PubChem CID 43782791) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-methyl-2-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]acetamide
PubChem CID43782791
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-methyl-2-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]acetamide
SMILESC#CCN1CCC(NC2CCN(CC(=O)NC)CC2)CC1
InChIInChI=1S/C16H28N4O/c1-3-8-19-9-4-14(5-10-19)18-15-6-11-20(12-7-15)13-16(21)17-2/h1,14-15,18H,4-13H2,2H3,(H,17,21)
InChIKeyFXUUXOCJIMJCPB-UHFFFAOYSA-N
XLogP-0.12
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-2-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]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

1-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]ethanone
CID 43791036
N-methyl-2-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]acetamide
CID 65070563
1-methyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine
CID 43775828
N-methyl-2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]piperidin-1-yl]acetamide
CID 43691453
N-methyl-2-[4-[(3-methylcyclohexyl)amino]piperidin-1-yl]acetamide
CID 43435274
2-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-N-methylacetamide
CID 79458461
2-[4-[(3-cyclopropylcyclohexyl)amino]piperidin-1-yl]-N-methylacetamide
CID 64595857
N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide
CID 170394930
N-(3,5-dimethylcyclohexyl)-1-prop-2-ynylpiperidin-4-amine
CID 64733626
N-methyl-2-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]acetamide
CID 115335740
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 43704790
2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 60751395

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]acetamide (CID 43782791) is N-methyl-2-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]acetamide is C#CCN1CCC(NC2CCN(CC(=O)NC)CC2)CC1.
What is the InChIKey of N-methyl-2-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]acetamide?
The InChIKey is FXUUXOCJIMJCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-3-8-19-9-4-14(5-10-19)18-15-6-11-20(12-7-15)13-16(21)17-2/h1,14-15,18H,4-13H2,2H3,(H,17,21).
What are the key properties of N-methyl-2-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]acetamide?
N-methyl-2-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]acetamide has a molecular weight of 292.43 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 43782791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).