2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide

C14H26N4O — CID 55201576

IUPAC2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)N1CCN(CC#N)CC1
InChIInChI=1S/C14H26N4O/c1-5-14(3,4)16-13(19)12(2)18-10-8-17(7-6-15)9-11-18/h12H,5,7-11H2,1-4H3,(H,16,19)
InChIKeyAFQIWXADGKWJKC-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.82
Rot. Bonds5

About 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide

2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 55201576) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
PubChem CID55201576
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)N1CCN(CC#N)CC1
InChIInChI=1S/C14H26N4O/c1-5-14(3,4)16-13(19)12(2)18-10-8-17(7-6-15)9-11-18/h12H,5,7-11H2,1-4H3,(H,16,19)
InChIKeyAFQIWXADGKWJKC-UHFFFAOYSA-N
XLogP0.82
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-carbamoyl-2-[4-(cyanomethyl)piperazin-1-yl]propanamide
CID 55201574
2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 55201383
2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 55210355
2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide;hydrochloride
CID 119909909
N-(2-methylbutan-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 74628749
N-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
CID 63847901
2-(3-aminopyrrolidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 62068958
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 74628799
2-(3,5-dimethylpiperazin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 63874811
(2S)-N-(2-methylbutan-2-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide
CID 96569510
2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 63342087
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]acetonitrile
CID 63336804

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide (CID 55201576) is 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)N1CCN(CC#N)CC1.
What is the InChIKey of 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is AFQIWXADGKWJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-14(3,4)16-13(19)12(2)18-10-8-17(7-6-15)9-11-18/h12H,5,7-11H2,1-4H3,(H,16,19).
What are the key properties of 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide?
2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 266.39 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 55201576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).