3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide

C22H39N5O — CID 45179679

IUPAC3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCCc1nc(CN2CCCC(CCC(=O)N(C)C3CCN(C)CC3)C2)c(C)[nH]1
InChIInChI=1S/C22H39N5O/c1-5-21-23-17(2)20(24-21)16-27-12-6-7-18(15-27)8-9-22(28)26(4)19-10-13-25(3)14-11-19/h18-19H,5-16H2,1-4H3,(H,23,24)
InChIKeyFSBKWQBSAQYLKV-UHFFFAOYSA-N
MW389.59 g/mol
LogP2.83
Rot. Bonds7

About 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide

3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 45179679) has the molecular formula C22H39N5O and a molecular weight of 389.59 g/mol. Its IUPAC name is 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID45179679
Molecular FormulaC22H39N5O
Molecular Weight389.59 g/mol
Exact Mass389.32
IUPAC Name3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCCc1nc(CN2CCCC(CCC(=O)N(C)C3CCN(C)CC3)C2)c(C)[nH]1
InChIInChI=1S/C22H39N5O/c1-5-21-23-17(2)20(24-21)16-27-12-6-7-18(15-27)8-9-22(28)26(4)19-10-13-25(3)14-11-19/h18-19H,5-16H2,1-4H3,(H,23,24)
InChIKeyFSBKWQBSAQYLKV-UHFFFAOYSA-N
XLogP2.83
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.59
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide (CID 45179679) is 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide is CCc1nc(CN2CCCC(CCC(=O)N(C)C3CCN(C)CC3)C2)c(C)[nH]1.
What is the InChIKey of 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is FSBKWQBSAQYLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N5O/c1-5-21-23-17(2)20(24-21)16-27-12-6-7-18(15-27)8-9-22(28)26(4)19-10-13-25(3)14-11-19/h18-19H,5-16H2,1-4H3,(H,23,24).
What are the key properties of 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 389.59 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 45179679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).