N-but-2-ynyl-4-methylpiperazine-1-carboxamide

C10H17N3O — CID 143657710

IUPACN-but-2-ynyl-4-methylpiperazine-1-carboxamide
SMILESCC#CCNC(=O)N1CCN(C)CC1
InChIInChI=1S/C10H17N3O/c1-3-4-5-11-10(14)13-8-6-12(2)7-9-13/h5-9H2,1-2H3,(H,11,14)
InChIKeyPMBVSJODNPTWFA-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.03
Rot. Bonds1

About N-but-2-ynyl-4-methylpiperazine-1-carboxamide

N-but-2-ynyl-4-methylpiperazine-1-carboxamide (PubChem CID 143657710) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-but-2-ynyl-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-but-2-ynyl-4-methylpiperazine-1-carboxamide
PubChem CID143657710
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-but-2-ynyl-4-methylpiperazine-1-carboxamide
SMILESCC#CCNC(=O)N1CCN(C)CC1
InChIInChI=1S/C10H17N3O/c1-3-4-5-11-10(14)13-8-6-12(2)7-9-13/h5-9H2,1-2H3,(H,11,14)
InChIKeyPMBVSJODNPTWFA-UHFFFAOYSA-N
XLogP-0.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-but-2-ynyl-4-methylpiperazine-1-carboxamide 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-but-2-ynyl-3-(cyclopropanecarbonyl)imidazolidine-1-carboxamide
CID 128853844
ethane;N-ethyl-4-methylpiperazine-1-carboxamide
CID 162757758
N-but-2-ynyl-4-(sulfamoylmethyl)piperidine-1-carboxamide
CID 167928795
ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide
CID 144702610
N-butyl-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen
CID 144983646
N-prop-2-ynylpyrrolidine-1-carboxamide
CID 112722494
3-[(4-methyl-1,4-diazepane-1-carbonyl)amino]propanoic acid
CID 61193497
N,4-dimethyl-1,4-diazepane-1-carboxamide
CID 59680276
1-(4-methylpiperazin-1-yl)ethanone
CID 550758
4-(2-aminoethyl)-N-prop-2-ynylpiperazine-1-carboxamide
CID 82508126
N-(1-amino-2-methylpropan-2-yl)-4-methylpiperazine-1-carboxamide
CID 82508951
N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone
CID 160870034

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-but-2-ynyl-4-methylpiperazine-1-carboxamide (CID 143657710) is N-but-2-ynyl-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-but-2-ynyl-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-but-2-ynyl-4-methylpiperazine-1-carboxamide is CC#CCNC(=O)N1CCN(C)CC1.
What is the InChIKey of N-but-2-ynyl-4-methylpiperazine-1-carboxamide?
The InChIKey is PMBVSJODNPTWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-4-5-11-10(14)13-8-6-12(2)7-9-13/h5-9H2,1-2H3,(H,11,14).
What are the key properties of N-but-2-ynyl-4-methylpiperazine-1-carboxamide?
N-but-2-ynyl-4-methylpiperazine-1-carboxamide has a molecular weight of 195.27 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 143657710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).