3-diazenyl-4-imino-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide

C13H25N5O — CID 123492602

IUPAC3-diazenyl-4-imino-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
SMILES[H]/N=C/C(CC(=O)N(C)CCC1CCN(C)CC1)/N=N/[H]
InChIInChI=1S/C13H25N5O/c1-17-6-3-11(4-7-17)5-8-18(2)13(19)9-12(10-14)16-15/h10-12,14-15H,3-9H2,1-2H3/b14-10+,16-15+
InChIKeyOJFZRWCIGKXEBJ-MQIHADEYSA-N
MW267.38 g/mol
LogP1.62
Rot. Bonds7

About 3-diazenyl-4-imino-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide

3-diazenyl-4-imino-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide (PubChem CID 123492602) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-diazenyl-4-imino-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-diazenyl-4-imino-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
PubChem CID123492602
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name3-diazenyl-4-imino-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
SMILES[H]/N=C/C(CC(=O)N(C)CCC1CCN(C)CC1)/N=N/[H]
InChIInChI=1S/C13H25N5O/c1-17-6-3-11(4-7-17)5-8-18(2)13(19)9-12(10-14)16-15/h10-12,14-15H,3-9H2,1-2H3/b14-10+,16-15+
InChIKeyOJFZRWCIGKXEBJ-MQIHADEYSA-N
XLogP1.62
TPSA83.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 165116548
N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158360
1,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 115169549
2-amino-N,2-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 115152812
(2Z)-2-amino-2-(aminohydrazinylidene)-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 144649723
4-amino-N,2,2-trimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115157150
N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]carbamoyl chloride
CID 115195122
ethyl 3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]-3-oxopropanoate
CID 115138668
2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide
CID 115152814
2-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]butanoic acid
CID 115250133
4-amino-N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 81079366
3-(4-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 63235356

Frequently Asked Questions

What is the IUPAC name of 3-diazenyl-4-imino-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
The IUPAC name of 3-diazenyl-4-imino-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide (CID 123492602) is 3-diazenyl-4-imino-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide.
What is the SMILES notation for 3-diazenyl-4-imino-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
The canonical SMILES for 3-diazenyl-4-imino-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide is [H]/N=C/C(CC(=O)N(C)CCC1CCN(C)CC1)/N=N/[H].
What is the InChIKey of 3-diazenyl-4-imino-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
The InChIKey is OJFZRWCIGKXEBJ-MQIHADEYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-17-6-3-11(4-7-17)5-8-18(2)13(19)9-12(10-14)16-15/h10-12,14-15H,3-9H2,1-2H3/b14-10+,16-15+.
What are the key properties of 3-diazenyl-4-imino-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
3-diazenyl-4-imino-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide has a molecular weight of 267.38 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazenyl-4-imino-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide is sourced from PubChem (CID 123492602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).