2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide

C22H39N5O — CID 53181593

IUPAC2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide
SMILESCc1nc(C(=O)NCCC2CCN(C(C)C)CC2)c(C)n1C1CCN(C)CC1
InChIInChI=1S/C22H39N5O/c1-16(2)26-14-7-19(8-15-26)6-11-23-22(28)21-17(3)27(18(4)24-21)20-9-12-25(5)13-10-20/h16,19-20H,6-15H2,1-5H3,(H,23,28)
InChIKeyCKTMQKKYLHBAHG-UHFFFAOYSA-N
MW389.59 g/mol
LogP3.01
Rot. Bonds6

About 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide

2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide (PubChem CID 53181593) has the molecular formula C22H39N5O and a molecular weight of 389.59 g/mol. Its IUPAC name is 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide
PubChem CID53181593
Molecular FormulaC22H39N5O
Molecular Weight389.59 g/mol
Exact Mass389.32
IUPAC Name2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide
SMILESCc1nc(C(=O)NCCC2CCN(C(C)C)CC2)c(C)n1C1CCN(C)CC1
InChIInChI=1S/C22H39N5O/c1-16(2)26-14-7-19(8-15-26)6-11-23-22(28)21-17(3)27(18(4)24-21)20-9-12-25(5)13-10-20/h16,19-20H,6-15H2,1-5H3,(H,23,28)
InChIKeyCKTMQKKYLHBAHG-UHFFFAOYSA-N
XLogP3.01
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.59
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide (CID 53181593) is 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide is Cc1nc(C(=O)NCCC2CCN(C(C)C)CC2)c(C)n1C1CCN(C)CC1.
What is the InChIKey of 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide?
The InChIKey is CKTMQKKYLHBAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N5O/c1-16(2)26-14-7-19(8-15-26)6-11-23-22(28)21-17(3)27(18(4)24-21)20-9-12-25(5)13-10-20/h16,19-20H,6-15H2,1-5H3,(H,23,28).
What are the key properties of 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide?
2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide has a molecular weight of 389.59 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 53181593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).