3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]-N-propylpropanamide

C15H26N4O — CID 114719413

IUPAC3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCn1cncc1C1(C)CCNCC1
InChIInChI=1S/C15H26N4O/c1-3-7-18-14(20)4-10-19-12-17-11-13(19)15(2)5-8-16-9-6-15/h11-12,16H,3-10H2,1-2H3,(H,18,20)
InChIKeyGABVAWZYGRQQEA-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.44
Rot. Bonds6

About 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]-N-propylpropanamide

3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]-N-propylpropanamide (PubChem CID 114719413) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]-N-propylpropanamide
PubChem CID114719413
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCn1cncc1C1(C)CCNCC1
InChIInChI=1S/C15H26N4O/c1-3-7-18-14(20)4-10-19-12-17-11-13(19)15(2)5-8-16-9-6-15/h11-12,16H,3-10H2,1-2H3,(H,18,20)
InChIKeyGABVAWZYGRQQEA-UHFFFAOYSA-N
XLogP1.44
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propanoate
CID 114719023
N-tert-butyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]propanamide
CID 114721912
ethyl 3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]propanoate
CID 114719022
N-[2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]ethyl]cyclopropanecarboxamide
CID 114722317
2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propylpropanamide
CID 114719612
N,N-diethyl-2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]acetamide
CID 114721954
3-[5-(hydroxymethyl)imidazol-1-yl]-N-propylpropanamide
CID 66150619
3-[5-(aminomethyl)imidazol-1-yl]-N-propylpropanamide
CID 66150956
2,2-dimethyl-3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propanamide
CID 106278172
4-methyl-4-[3-(3-methylsulfonylpropyl)imidazol-4-yl]piperidine
CID 114718584
N-propyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide
CID 66150955
N-propyl-3-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)propanamide
CID 64857671

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]-N-propylpropanamide?
The IUPAC name of 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]-N-propylpropanamide (CID 114719413) is 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]-N-propylpropanamide.
What is the SMILES notation for 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]-N-propylpropanamide?
The canonical SMILES for 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]-N-propylpropanamide is CCCNC(=O)CCn1cncc1C1(C)CCNCC1.
What is the InChIKey of 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]-N-propylpropanamide?
The InChIKey is GABVAWZYGRQQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-7-18-14(20)4-10-19-12-17-11-13(19)15(2)5-8-16-9-6-15/h11-12,16H,3-10H2,1-2H3,(H,18,20).
What are the key properties of 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]-N-propylpropanamide?
3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]-N-propylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]-N-propylpropanamide is sourced from PubChem (CID 114719413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).