N-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide

C14H22N4O2S — CID 102737029

IUPACN-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(Cc2ccsc2C(=O)NN)CC1
InChIInChI=1S/C14H22N4O2S/c1-10(19)16-8-11-2-5-18(6-3-11)9-12-4-7-21-13(12)14(20)17-15/h4,7,11H,2-3,5-6,8-9,15H2,1H3,(H,16,19)(H,17,20)
InChIKeyGZDKXKVVGKLJKP-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.70
Rot. Bonds5

About N-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide

N-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide (PubChem CID 102737029) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide
PubChem CID102737029
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(Cc2ccsc2C(=O)NN)CC1
InChIInChI=1S/C14H22N4O2S/c1-10(19)16-8-11-2-5-18(6-3-11)9-12-4-7-21-13(12)14(20)17-15/h4,7,11H,2-3,5-6,8-9,15H2,1H3,(H,16,19)(H,17,20)
InChIKeyGZDKXKVVGKLJKP-UHFFFAOYSA-N
XLogP0.70
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63639861
3-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63641063
3-[(3-methoxypiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 102968725
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide
CID 63640027
3-[(3,4-dihydroxypyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 106674279
N-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 113223431
N-[[1-[(3-amino-2-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 102736075
N-[[1-[(5-amino-2-hydroxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 102736031
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thiophene-2-carbohydrazide
CID 113336319
N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 103917998
3-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 63973293
3-[(4-aminopiperidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 63641091

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide (CID 102737029) is N-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(Cc2ccsc2C(=O)NN)CC1.
What is the InChIKey of N-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is GZDKXKVVGKLJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-10(19)16-8-11-2-5-18(6-3-11)9-12-4-7-21-13(12)14(20)17-15/h4,7,11H,2-3,5-6,8-9,15H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 310.42 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102737029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).