N-(3-piperidin-1-ylpropyl)imidazole-1-carboxamide

C12H20N4O — CID 81258075

IUPACN-(3-piperidin-1-ylpropyl)imidazole-1-carboxamide
SMILESO=C(NCCCN1CCCCC1)n1ccnc1
InChIInChI=1S/C12H20N4O/c17-12(16-10-6-13-11-16)14-5-4-9-15-7-2-1-3-8-15/h6,10-11H,1-5,7-9H2,(H,14,17)
InChIKeyUFLWSEXNQJNDLX-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.32
Rot. Bonds4

About N-(3-piperidin-1-ylpropyl)imidazole-1-carboxamide

N-(3-piperidin-1-ylpropyl)imidazole-1-carboxamide (PubChem CID 81258075) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(3-piperidin-1-ylpropyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylpropyl)imidazole-1-carboxamide
PubChem CID81258075
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(3-piperidin-1-ylpropyl)imidazole-1-carboxamide
SMILESO=C(NCCCN1CCCCC1)n1ccnc1
InChIInChI=1S/C12H20N4O/c17-12(16-10-6-13-11-16)14-5-4-9-15-7-2-1-3-8-15/h6,10-11H,1-5,7-9H2,(H,14,17)
InChIKeyUFLWSEXNQJNDLX-UHFFFAOYSA-N
XLogP1.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-sulfanylethyl)imidazole-1-carboxamide
CID 58107367
N-[2-(4-benzylpiperazin-1-yl)ethyl]imidazole-1-carboxamide
CID 66735798
N-(1-piperidin-1-ylpropan-2-yl)imidazole-1-carboxamide
CID 54965407
N-[2-(methanesulfonamido)ethyl]imidazole-1-carboxamide
CID 43546302
2-imidazol-1-yl-N-(2-piperidin-1-ylethyl)acetamide
CID 139978601
4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 81226066
N-[3-[methyl(propan-2-yl)amino]propyl]imidazole-1-carboxamide
CID 106037947
3-pyrrolidin-1-ylpropylcarbamic acid
CID 67998404
5-hydroxy-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 55258279
N-octadec-9-enylimidazole-1-carboxamide
CID 54037396
imidazol-1-yl 4-piperidin-1-ylbutanoate
CID 174984921
2-oxo-N-(3-piperidin-1-ylpropyl)propanamide
CID 121311935

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylpropyl)imidazole-1-carboxamide?
The IUPAC name of N-(3-piperidin-1-ylpropyl)imidazole-1-carboxamide (CID 81258075) is N-(3-piperidin-1-ylpropyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(3-piperidin-1-ylpropyl)imidazole-1-carboxamide?
The canonical SMILES for N-(3-piperidin-1-ylpropyl)imidazole-1-carboxamide is O=C(NCCCN1CCCCC1)n1ccnc1.
What is the InChIKey of N-(3-piperidin-1-ylpropyl)imidazole-1-carboxamide?
The InChIKey is UFLWSEXNQJNDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c17-12(16-10-6-13-11-16)14-5-4-9-15-7-2-1-3-8-15/h6,10-11H,1-5,7-9H2,(H,14,17).
What are the key properties of N-(3-piperidin-1-ylpropyl)imidazole-1-carboxamide?
N-(3-piperidin-1-ylpropyl)imidazole-1-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylpropyl)imidazole-1-carboxamide is sourced from PubChem (CID 81258075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).