2-[1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]piperidin-4-yl]acetamide

C14H22N4O3 — CID 63579534

IUPAC2-[1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCc1oc(C(=O)NN)cc1CN1CCC(CC(N)=O)CC1
InChIInChI=1S/C14H22N4O3/c1-9-11(7-12(21-9)14(20)17-16)8-18-4-2-10(3-5-18)6-13(15)19/h7,10H,2-6,8,16H2,1H3,(H2,15,19)(H,17,20)
InChIKeyLLMPPZZJYIOJBI-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.28
Rot. Bonds5

About 2-[1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]piperidin-4-yl]acetamide

2-[1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 63579534) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]piperidin-4-yl]acetamide
PubChem CID63579534
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-[1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCc1oc(C(=O)NN)cc1CN1CCC(CC(N)=O)CC1
InChIInChI=1S/C14H22N4O3/c1-9-11(7-12(21-9)14(20)17-16)8-18-4-2-10(3-5-18)6-13(15)19/h7,10H,2-6,8,16H2,1H3,(H2,15,19)(H,17,20)
InChIKeyLLMPPZZJYIOJBI-UHFFFAOYSA-N
XLogP0.28
TPSA114.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.28
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

5-methyl-4-[(4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63569181
4-(azocan-1-ylmethyl)-5-methylfuran-2-carbohydrazide
CID 63570994
5-methyl-4-(piperazin-1-ylmethyl)furan-2-carbohydrazide
CID 63583235
2-[1-[[4-(hydrazinecarbonyl)-5-methylfuran-2-yl]methyl]piperidin-4-yl]acetamide
CID 63579170
4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 102736546
1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]pyrrolidine-2-carboxamide
CID 63569410
2-[1-[[2-(hydrazinecarbonyl)furan-3-yl]methyl]piperidin-4-yl]acetamide
CID 63578815
4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide
CID 63572887
5-methyl-4-[(3-methyl-2-oxopiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 104680451
5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-2-carbohydrazide
CID 63583647
1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]-N-methylpiperidine-2-carboxamide
CID 63585489
4-[(3,5-dioxomorpholin-4-yl)methyl]-5-methylfuran-2-carbohydrazide
CID 63577829

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]piperidin-4-yl]acetamide (CID 63579534) is 2-[1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]piperidin-4-yl]acetamide is Cc1oc(C(=O)NN)cc1CN1CCC(CC(N)=O)CC1.
What is the InChIKey of 2-[1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is LLMPPZZJYIOJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9-11(7-12(21-9)14(20)17-16)8-18-4-2-10(3-5-18)6-13(15)19/h7,10H,2-6,8,16H2,1H3,(H2,15,19)(H,17,20).
What are the key properties of 2-[1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]piperidin-4-yl]acetamide?
2-[1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 294.35 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 63579534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).