N-[2-(diethylamino)ethyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide

C21H36N4O2 — CID 46330453

IUPACN-[2-(diethylamino)ethyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
SMILESCCN(CC)CCNC(=O)CC1CCN(C(=O)c2[nH]c(C)c(C)c2C)CC1
InChIInChI=1S/C21H36N4O2/c1-6-24(7-2)13-10-22-19(26)14-18-8-11-25(12-9-18)21(27)20-16(4)15(3)17(5)23-20/h18,23H,6-14H2,1-5H3,(H,22,26)
InChIKeyMHEKSMQXMBWOMD-UHFFFAOYSA-N
MW376.55 g/mol
LogP2.64
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide

N-[2-(diethylamino)ethyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 46330453) has the molecular formula C21H36N4O2 and a molecular weight of 376.55 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID46330453
Molecular FormulaC21H36N4O2
Molecular Weight376.55 g/mol
Exact Mass376.28
IUPAC NameN-[2-(diethylamino)ethyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
SMILESCCN(CC)CCNC(=O)CC1CCN(C(=O)c2[nH]c(C)c(C)c2C)CC1
InChIInChI=1S/C21H36N4O2/c1-6-24(7-2)13-10-22-19(26)14-18-8-11-25(12-9-18)21(27)20-16(4)15(3)17(5)23-20/h18,23H,6-14H2,1-5H3,(H,22,26)
InChIKeyMHEKSMQXMBWOMD-UHFFFAOYSA-N
XLogP2.64
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide (CID 46330453) is N-[2-(diethylamino)ethyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide is CCN(CC)CCNC(=O)CC1CCN(C(=O)c2[nH]c(C)c(C)c2C)CC1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is MHEKSMQXMBWOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O2/c1-6-24(7-2)13-10-22-19(26)14-18-8-11-25(12-9-18)21(27)20-16(4)15(3)17(5)23-20/h18,23H,6-14H2,1-5H3,(H,22,26).
What are the key properties of N-[2-(diethylamino)ethyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
N-[2-(diethylamino)ethyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 376.55 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 46330453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).