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

C21H37N5O — CID 29256294

IUPAC1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCCc1nc(CN2CCC(N3CCC(C(=O)NC(C)C)CC3)CC2)c(C)[nH]1
InChIInChI=1S/C21H37N5O/c1-5-20-23-16(4)19(24-20)14-25-10-8-18(9-11-25)26-12-6-17(7-13-26)21(27)22-15(2)3/h15,17-18H,5-14H2,1-4H3,(H,22,27)(H,23,24)
InChIKeyKQBOPEZCAGYFQW-UHFFFAOYSA-N
MW375.56 g/mol
LogP2.48
Rot. Bonds6

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

1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 29256294) has the molecular formula C21H37N5O and a molecular weight of 375.56 g/mol. Its IUPAC name is 1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID29256294
Molecular FormulaC21H37N5O
Molecular Weight375.56 g/mol
Exact Mass375.30
IUPAC Name1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCCc1nc(CN2CCC(N3CCC(C(=O)NC(C)C)CC3)CC2)c(C)[nH]1
InChIInChI=1S/C21H37N5O/c1-5-20-23-16(4)19(24-20)14-25-10-8-18(9-11-25)26-12-6-17(7-13-26)21(27)22-15(2)3/h15,17-18H,5-14H2,1-4H3,(H,22,27)(H,23,24)
InChIKeyKQBOPEZCAGYFQW-UHFFFAOYSA-N
XLogP2.48
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide (CID 29256294) is 1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide is CCc1nc(CN2CCC(N3CCC(C(=O)NC(C)C)CC3)CC2)c(C)[nH]1.
What is the InChIKey of 1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is KQBOPEZCAGYFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O/c1-5-20-23-16(4)19(24-20)14-25-10-8-18(9-11-25)26-12-6-17(7-13-26)21(27)22-15(2)3/h15,17-18H,5-14H2,1-4H3,(H,22,27)(H,23,24).
What are the key properties of 1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 375.56 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 29256294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).