2-imino-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)acetamide

C9H16N4O — CID 162527766

IUPAC2-imino-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)acetamide
SMILES[H]/N=C(\N=C)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C9H16N4O/c1-11-8(10)9(14)12-7-3-5-13(2)6-4-7/h7,10H,1,3-6H2,2H3,(H,12,14)/b10-8-
InChIKeyAPOTUXWYEBGMST-NTMALXAHSA-N
MW196.25 g/mol
LogP-0.13
Rot. Bonds1

About 2-imino-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)acetamide

2-imino-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 162527766) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-imino-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-imino-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID162527766
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-imino-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)acetamide
SMILES[H]/N=C(\N=C)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C9H16N4O/c1-11-8(10)9(14)12-7-3-5-13(2)6-4-7/h7,10H,1,3-6H2,2H3,(H,12,14)/b10-8-
InChIKeyAPOTUXWYEBGMST-NTMALXAHSA-N
XLogP-0.13
TPSA68.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-(Methylamino)piperidin-1-yl]-2-oxoethyl]guanidine
CID 20641631
2-(aminomethylideneamino)-N-(1-formylpiperidin-3-yl)acetamide
CID 53650154
(2S)-1-(2-aminoacetyl)piperidine-2-carboximidamide
CID 68324169
N-(1-ethanimidoylpiperidin-4-yl)acetamide
CID 89316575
N'-[3-[(2S,5S)-4-acetyl-5-methylpiperazin-2-yl]propyl]ethanimidamide
CID 89328660
5-(piperidin-4-ylamino)-2,3-dihydro-1H-pyrazin-6-one
CID 89355939
(2S)-2-amino-5-(diaminomethylideneamino)-N-(1-methylpiperidin-4-yl)pentanamide
CID 117660943
N-[2-[4-(ethylideneamino)piperidin-1-yl]-2-oxoethyl]acetamide
CID 123180617
2-[(3-Imino-2-methylpropylidene)amino]-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 123436834
2-(3-aminopiperidin-1-yl)-N'-methanimidoyl-2-oxoethanimidamide
CID 123773608
2-methyl-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)propanamide
CID 138497139
(2S)-2-amino-5-(diaminomethylideneamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 138741981

Frequently Asked Questions

What is the IUPAC name of 2-imino-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-imino-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)acetamide (CID 162527766) is 2-imino-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-imino-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-imino-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)acetamide is [H]/N=C(\N=C)C(=O)NC1CCN(C)CC1.
What is the InChIKey of 2-imino-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is APOTUXWYEBGMST-NTMALXAHSA-N. The full InChI is InChI=1S/C9H16N4O/c1-11-8(10)9(14)12-7-3-5-13(2)6-4-7/h7,10H,1,3-6H2,2H3,(H,12,14)/b10-8-.
What are the key properties of 2-imino-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)acetamide?
2-imino-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 196.25 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-2-(methylideneamino)-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 162527766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).