N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide

C15H26N4O — CID 72870110

IUPACN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCc1cnc(CN(C)C(=O)C2CCN(C(C)C)CC2)[nH]1
InChIInChI=1S/C15H26N4O/c1-11(2)19-7-5-13(6-8-19)15(20)18(4)10-14-16-9-12(3)17-14/h9,11,13H,5-8,10H2,1-4H3,(H,16,17)
InChIKeyDCIGZIUFRSBEBC-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.80
Rot. Bonds4

About N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide

N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 72870110) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID72870110
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCc1cnc(CN(C)C(=O)C2CCN(C(C)C)CC2)[nH]1
InChIInChI=1S/C15H26N4O/c1-11(2)19-7-5-13(6-8-19)15(20)18(4)10-14-16-9-12(3)17-14/h9,11,13H,5-8,10H2,1-4H3,(H,16,17)
InChIKeyDCIGZIUFRSBEBC-UHFFFAOYSA-N
XLogP1.80
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide (CID 72870110) is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide is Cc1cnc(CN(C)C(=O)C2CCN(C(C)C)CC2)[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is DCIGZIUFRSBEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)19-7-5-13(6-8-19)15(20)18(4)10-14-16-9-12(3)17-14/h9,11,13H,5-8,10H2,1-4H3,(H,16,17).
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide?
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 72870110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).