N-(cyanomethyl)-N-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]propanamide

C14H24N4O2 — CID 177013058

IUPACN-(cyanomethyl)-N-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]propanamide
SMILESCCC(=O)N(CC#N)CCN1CCN(C2COC2)CC1
InChIInChI=1S/C14H24N4O2/c1-2-14(19)18(4-3-15)10-7-16-5-8-17(9-6-16)13-11-20-12-13/h13H,2,4-12H2,1H3
InChIKeyBBEPGFYWUGUMAY-UHFFFAOYSA-N
MW280.37 g/mol
LogP-0.24
Rot. Bonds6

About N-(cyanomethyl)-N-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]propanamide

N-(cyanomethyl)-N-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]propanamide (PubChem CID 177013058) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(cyanomethyl)-N-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]propanamide
PubChem CID177013058
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-(cyanomethyl)-N-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]propanamide
SMILESCCC(=O)N(CC#N)CCN1CCN(C2COC2)CC1
InChIInChI=1S/C14H24N4O2/c1-2-14(19)18(4-3-15)10-7-16-5-8-17(9-6-16)13-11-20-12-13/h13H,2,4-12H2,1H3
InChIKeyBBEPGFYWUGUMAY-UHFFFAOYSA-N
XLogP-0.24
TPSA59.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]propanamide?
The IUPAC name of N-(cyanomethyl)-N-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]propanamide (CID 177013058) is N-(cyanomethyl)-N-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]propanamide.
What is the SMILES notation for N-(cyanomethyl)-N-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]propanamide?
The canonical SMILES for N-(cyanomethyl)-N-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]propanamide is CCC(=O)N(CC#N)CCN1CCN(C2COC2)CC1.
What is the InChIKey of N-(cyanomethyl)-N-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]propanamide?
The InChIKey is BBEPGFYWUGUMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-2-14(19)18(4-3-15)10-7-16-5-8-17(9-6-16)13-11-20-12-13/h13H,2,4-12H2,1H3.
What are the key properties of N-(cyanomethyl)-N-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]propanamide?
N-(cyanomethyl)-N-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]propanamide has a molecular weight of 280.37 g/mol, XLogP of -0.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]propanamide is sourced from PubChem (CID 177013058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).