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

C22H38N4O2 — CID 46330444

IUPACN-[3-(diethylamino)propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
SMILESCCN(CC)CCCNC(=O)CC1CCN(C(=O)c2[nH]c(C)c(C)c2C)CC1
InChIInChI=1S/C22H38N4O2/c1-6-25(7-2)12-8-11-23-20(27)15-19-9-13-26(14-10-19)22(28)21-17(4)16(3)18(5)24-21/h19,24H,6-15H2,1-5H3,(H,23,27)
InChIKeyBDQXJNIMXFGFCV-UHFFFAOYSA-N
MW390.57 g/mol
LogP3.03
Rot. Bonds9

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

N-[3-(diethylamino)propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 46330444) has the molecular formula C22H38N4O2 and a molecular weight of 390.57 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID46330444
Molecular FormulaC22H38N4O2
Molecular Weight390.57 g/mol
Exact Mass390.30
IUPAC NameN-[3-(diethylamino)propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
SMILESCCN(CC)CCCNC(=O)CC1CCN(C(=O)c2[nH]c(C)c(C)c2C)CC1
InChIInChI=1S/C22H38N4O2/c1-6-25(7-2)12-8-11-23-20(27)15-19-9-13-26(14-10-19)22(28)21-17(4)16(3)18(5)24-21/h19,24H,6-15H2,1-5H3,(H,23,27)
InChIKeyBDQXJNIMXFGFCV-UHFFFAOYSA-N
XLogP3.03
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide (CID 46330444) is N-[3-(diethylamino)propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide is CCN(CC)CCCNC(=O)CC1CCN(C(=O)c2[nH]c(C)c(C)c2C)CC1.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is BDQXJNIMXFGFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O2/c1-6-25(7-2)12-8-11-23-20(27)15-19-9-13-26(14-10-19)22(28)21-17(4)16(3)18(5)24-21/h19,24H,6-15H2,1-5H3,(H,23,27).
What are the key properties of N-[3-(diethylamino)propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
N-[3-(diethylamino)propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 390.57 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 46330444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).