N-[(1-propylpiperidin-4-ylidene)amino]acetamide

C10H19N3O — CID 3405278

IUPACN-[(1-propylpiperidin-4-ylidene)amino]acetamide
SMILESCCCN1CCC(=NNC(C)=O)CC1
InChIInChI=1S/C10H19N3O/c1-3-6-13-7-4-10(5-8-13)12-11-9(2)14/h3-8H2,1-2H3,(H,11,14)
InChIKeySQMZZAQMJVUORP-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.98
Rot. Bonds3

About N-[(1-propylpiperidin-4-ylidene)amino]acetamide

N-[(1-propylpiperidin-4-ylidene)amino]acetamide (PubChem CID 3405278) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[(1-propylpiperidin-4-ylidene)amino]acetamide.

Molecular Properties

Compound NameN-[(1-propylpiperidin-4-ylidene)amino]acetamide
PubChem CID3405278
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[(1-propylpiperidin-4-ylidene)amino]acetamide
SMILESCCCN1CCC(=NNC(C)=O)CC1
InChIInChI=1S/C10H19N3O/c1-3-6-13-7-4-10(5-8-13)12-11-9(2)14/h3-8H2,1-2H3,(H,11,14)
InChIKeySQMZZAQMJVUORP-UHFFFAOYSA-N
XLogP0.98
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 76045
CID 76045
CID 85531955
CID 85531955
CID 4406009
CID 4406009
CID 91990589
CID 91990589
CID 153789820
CID 153789820
CID 172384228
CID 172384228
CID 172384501
CID 172384501
CID 871383
CID 871383
CID 3252782
CID 3252782
CID 3293640
CID 3293640
CID 3318531
CID 3318531
CID 3357624
CID 3357624

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpiperidin-4-ylidene)amino]acetamide?
The IUPAC name of N-[(1-propylpiperidin-4-ylidene)amino]acetamide (CID 3405278) is N-[(1-propylpiperidin-4-ylidene)amino]acetamide.
What is the SMILES notation for N-[(1-propylpiperidin-4-ylidene)amino]acetamide?
The canonical SMILES for N-[(1-propylpiperidin-4-ylidene)amino]acetamide is CCCN1CCC(=NNC(C)=O)CC1.
What is the InChIKey of N-[(1-propylpiperidin-4-ylidene)amino]acetamide?
The InChIKey is SQMZZAQMJVUORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-6-13-7-4-10(5-8-13)12-11-9(2)14/h3-8H2,1-2H3,(H,11,14).
What are the key properties of N-[(1-propylpiperidin-4-ylidene)amino]acetamide?
N-[(1-propylpiperidin-4-ylidene)amino]acetamide has a molecular weight of 197.28 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpiperidin-4-ylidene)amino]acetamide is sourced from PubChem (CID 3405278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).