4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)-1-propan-2-ylpiperidine-4-carboxamide

C21H42N4O — CID 134557293

IUPAC4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)-1-propan-2-ylpiperidine-4-carboxamide
SMILESCCN1CCN(CC2(C(=O)NCC(C)C)CCN(C(C)C)CC2)CC1C
InChIInChI=1S/C21H42N4O/c1-7-24-13-12-23(15-19(24)6)16-21(20(26)22-14-17(2)3)8-10-25(11-9-21)18(4)5/h17-19H,7-16H2,1-6H3,(H,22,26)
InChIKeyJHEHRLWNZXFZRJ-UHFFFAOYSA-N
MW366.59 g/mol
LogP2.28
Rot. Bonds7

About 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)-1-propan-2-ylpiperidine-4-carboxamide

4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 134557293) has the molecular formula C21H42N4O and a molecular weight of 366.59 g/mol. Its IUPAC name is 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID134557293
Molecular FormulaC21H42N4O
Molecular Weight366.59 g/mol
Exact Mass366.34
IUPAC Name4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)-1-propan-2-ylpiperidine-4-carboxamide
SMILESCCN1CCN(CC2(C(=O)NCC(C)C)CCN(C(C)C)CC2)CC1C
InChIInChI=1S/C21H42N4O/c1-7-24-13-12-23(15-19(24)6)16-21(20(26)22-14-17(2)3)8-10-25(11-9-21)18(4)5/h17-19H,7-16H2,1-6H3,(H,22,26)
InChIKeyJHEHRLWNZXFZRJ-UHFFFAOYSA-N
XLogP2.28
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)-1-propan-2-ylpiperidine-4-carboxamide (CID 134557293) is 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)-1-propan-2-ylpiperidine-4-carboxamide is CCN1CCN(CC2(C(=O)NCC(C)C)CCN(C(C)C)CC2)CC1C.
What is the InChIKey of 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is JHEHRLWNZXFZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N4O/c1-7-24-13-12-23(15-19(24)6)16-21(20(26)22-14-17(2)3)8-10-25(11-9-21)18(4)5/h17-19H,7-16H2,1-6H3,(H,22,26).
What are the key properties of 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)-1-propan-2-ylpiperidine-4-carboxamide?
4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 366.59 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 134557293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).