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

C10H15N5O — CID 55218311

IUPACN-(cyanomethyl)-2-[4-(cyanomethyl)piperazin-1-yl]acetamide
SMILESN#CCNC(=O)CN1CCN(CC#N)CC1
InChIInChI=1S/C10H15N5O/c11-1-3-13-10(16)9-15-7-5-14(4-2-12)6-8-15/h3-9H2,(H,13,16)
InChIKeyICQPHMDUHPAPHU-UHFFFAOYSA-N
MW221.26 g/mol
LogP-1.23
Rot. Bonds4

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

N-(cyanomethyl)-2-[4-(cyanomethyl)piperazin-1-yl]acetamide (PubChem CID 55218311) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[4-(cyanomethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[4-(cyanomethyl)piperazin-1-yl]acetamide
PubChem CID55218311
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC NameN-(cyanomethyl)-2-[4-(cyanomethyl)piperazin-1-yl]acetamide
SMILESN#CCNC(=O)CN1CCN(CC#N)CC1
InChIInChI=1S/C10H15N5O/c11-1-3-13-10(16)9-15-7-5-14(4-2-12)6-8-15/h3-9H2,(H,13,16)
InChIKeyICQPHMDUHPAPHU-UHFFFAOYSA-N
XLogP-1.23
TPSA83.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847348
2-[4-(cyanomethyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 586701
N-(cyanomethyl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63848069
N-(cyanomethyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 62022097
N-(cyanomethyl)-2-(3-hydroxy-4-methylpyrrolidin-1-yl)acetamide
CID 130949306
N-(cyanomethyl)-2-[4-(2,3-difluorophenyl)piperazin-1-yl]acetamide
CID 136526133
2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]-1,4-diazepan-1-yl]-N-prop-2-ynylacetamide
CID 31313709
2-[1-[2-(cyanomethylamino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116684074
N-(cyanomethyl)-2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetamide
CID 113247488
N-(cyanomethyl)-2-pyrazolidin-1-ylacetamide
CID 131059611
4-(cyanomethyl)-N-propylpiperazine-1-carboxamide
CID 60969051
N-ethyl-2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazin-1-yl]acetamide
CID 36892657

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[4-(cyanomethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[4-(cyanomethyl)piperazin-1-yl]acetamide (CID 55218311) is N-(cyanomethyl)-2-[4-(cyanomethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[4-(cyanomethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[4-(cyanomethyl)piperazin-1-yl]acetamide is N#CCNC(=O)CN1CCN(CC#N)CC1.
What is the InChIKey of N-(cyanomethyl)-2-[4-(cyanomethyl)piperazin-1-yl]acetamide?
The InChIKey is ICQPHMDUHPAPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c11-1-3-13-10(16)9-15-7-5-14(4-2-12)6-8-15/h3-9H2,(H,13,16).
What are the key properties of N-(cyanomethyl)-2-[4-(cyanomethyl)piperazin-1-yl]acetamide?
N-(cyanomethyl)-2-[4-(cyanomethyl)piperazin-1-yl]acetamide has a molecular weight of 221.26 g/mol, XLogP of -1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[4-(cyanomethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55218311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).