N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylpiperazine-1-carboxamide

C14H25N5O2 — CID 18186669

IUPACN-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylpiperazine-1-carboxamide
SMILESCC(C)CC(NC(=O)N1CCN(C)CC1)C(=O)NCC#N
InChIInChI=1S/C14H25N5O2/c1-11(2)10-12(13(20)16-5-4-15)17-14(21)19-8-6-18(3)7-9-19/h11-12H,5-10H2,1-3H3,(H,16,20)(H,17,21)
InChIKeyYBHOENNTZHWEAJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP-0.00
Rot. Bonds5

About N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylpiperazine-1-carboxamide

N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylpiperazine-1-carboxamide (PubChem CID 18186669) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylpiperazine-1-carboxamide
PubChem CID18186669
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC NameN-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylpiperazine-1-carboxamide
SMILESCC(C)CC(NC(=O)N1CCN(C)CC1)C(=O)NCC#N
InChIInChI=1S/C14H25N5O2/c1-11(2)10-12(13(20)16-5-4-15)17-14(21)19-8-6-18(3)7-9-19/h11-12H,5-10H2,1-3H3,(H,16,20)(H,17,21)
InChIKeyYBHOENNTZHWEAJ-UHFFFAOYSA-N
XLogP-0.00
TPSA88.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-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-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 18186666
N-[(2S)-1-[4,4-bis(4-fluorophenyl)butylamino]-4-methyl-1-oxopentan-2-yl]-4-methylpiperazine-1-carboxamide
CID 54304940
N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 110285714
N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-5-phenyl-3,4-dihydro-2H-pyridine-1-carboxamide
CID 118893228
N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-(2-fluoro-5-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 118893152
2-methyl-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]propanamide
CID 110285648
(2S)-5-methoxy-2-[(4-methylpiperazine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107825523
(2S)-2-[(4-methylpiperazine-1-carbonyl)amino]pentanoic acid
CID 107565857
(2S)-2-[(4-formylpiperazine-1-carbonyl)amino]-4-methylpentanoic acid
CID 28509444
N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-hydroxybenzamide
CID 18186637
N-[3-(tert-butyldisulfanyl)-1-(cyanomethylamino)-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 18381704
[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea
CID 60634818

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylpiperazine-1-carboxamide (CID 18186669) is N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylpiperazine-1-carboxamide is CC(C)CC(NC(=O)N1CCN(C)CC1)C(=O)NCC#N.
What is the InChIKey of N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylpiperazine-1-carboxamide?
The InChIKey is YBHOENNTZHWEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-11(2)10-12(13(20)16-5-4-15)17-14(21)19-8-6-18(3)7-9-19/h11-12H,5-10H2,1-3H3,(H,16,20)(H,17,21).
What are the key properties of N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylpiperazine-1-carboxamide?
N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylpiperazine-1-carboxamide has a molecular weight of 295.39 g/mol, XLogP of -0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 18186669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).