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

C12H22N4O — CID 63847348

IUPACN-(cyanomethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
SMILESCCNCC1CCN(CC(=O)NCC#N)CC1
InChIInChI=1S/C12H22N4O/c1-2-14-9-11-3-7-16(8-4-11)10-12(17)15-6-5-13/h11,14H,2-4,6-10H2,1H3,(H,15,17)
InChIKeyWQIGDXQTENABOO-UHFFFAOYSA-N
MW238.33 g/mol
LogP-0.05
Rot. Bonds6

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

N-(cyanomethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide (PubChem CID 63847348) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
PubChem CID63847348
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-(cyanomethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
SMILESCCNCC1CCN(CC(=O)NCC#N)CC1
InChIInChI=1S/C12H22N4O/c1-2-14-9-11-3-7-16(8-4-11)10-12(17)15-6-5-13/h11,14H,2-4,6-10H2,1H3,(H,15,17)
InChIKeyWQIGDXQTENABOO-UHFFFAOYSA-N
XLogP-0.05
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848050
N-(cyanomethyl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63848069
N-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847877
N-ethyl-2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]acetamide
CID 63847405
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 80552650
N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide
CID 28566856
N-(cyanomethyl)-2-[4-(cyanomethyl)piperazin-1-yl]acetamide
CID 55218311
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride
CID 119928203
N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 80546664
2-[4-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethylacetamide
CID 63849644
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 80552476
N-(2-methoxyethyl)-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide
CID 55258549

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide (CID 63847348) is N-(cyanomethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide is CCNCC1CCN(CC(=O)NCC#N)CC1.
What is the InChIKey of N-(cyanomethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide?
The InChIKey is WQIGDXQTENABOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-2-14-9-11-3-7-16(8-4-11)10-12(17)15-6-5-13/h11,14H,2-4,6-10H2,1H3,(H,15,17).
What are the key properties of N-(cyanomethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide?
N-(cyanomethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide has a molecular weight of 238.33 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 63847348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).