N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylmorpholine-4-carboxamide

C16H32N4O2 — CID 71985639

IUPACN-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylmorpholine-4-carboxamide
SMILESCCN1CCN(CC(C)CNC(=O)N2CCOCC2C)CC1
InChIInChI=1S/C16H32N4O2/c1-4-18-5-7-19(8-6-18)12-14(2)11-17-16(21)20-9-10-22-13-15(20)3/h14-15H,4-13H2,1-3H3,(H,17,21)
InChIKeyHDDHGXNHLLGRDY-UHFFFAOYSA-N
MW312.46 g/mol
LogP0.69
Rot. Bonds5

About N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylmorpholine-4-carboxamide

N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylmorpholine-4-carboxamide (PubChem CID 71985639) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylmorpholine-4-carboxamide
PubChem CID71985639
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylmorpholine-4-carboxamide
SMILESCCN1CCN(CC(C)CNC(=O)N2CCOCC2C)CC1
InChIInChI=1S/C16H32N4O2/c1-4-18-5-7-19(8-6-18)12-14(2)11-17-16(21)20-9-10-22-13-15(20)3/h14-15H,4-13H2,1-3H3,(H,17,21)
InChIKeyHDDHGXNHLLGRDY-UHFFFAOYSA-N
XLogP0.69
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-methylmorpholine-4-carboxamide
CID 95967596
N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]azepane-1-carboxamide
CID 96520406
3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid
CID 61209883
2-methyl-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 79800880
(3S)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylmorpholine-4-carboxamide
CID 94030908
(3R)-N-tert-butyl-3-methylmorpholine-4-carboxamide
CID 106774167
(3R)-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-hydroxypiperidine-1-carboxamide
CID 95967582
(3R)-3-methyl-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]morpholine-4-carboxamide
CID 136581270
(3R)-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide
CID 94031066
3-methyl-N-propan-2-yl-1,4-oxazepane-4-carboxamide
CID 130834986
(3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylmorpholine-4-carboxamide
CID 94176718
4-(2,2-difluoroethyl)-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]-1,4-diazepane-1-carboxamide
CID 124734013

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylmorpholine-4-carboxamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylmorpholine-4-carboxamide (CID 71985639) is N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylmorpholine-4-carboxamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylmorpholine-4-carboxamide is CCN1CCN(CC(C)CNC(=O)N2CCOCC2C)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylmorpholine-4-carboxamide?
The InChIKey is HDDHGXNHLLGRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-4-18-5-7-19(8-6-18)12-14(2)11-17-16(21)20-9-10-22-13-15(20)3/h14-15H,4-13H2,1-3H3,(H,17,21).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylmorpholine-4-carboxamide?
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylmorpholine-4-carboxamide has a molecular weight of 312.46 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylmorpholine-4-carboxamide is sourced from PubChem (CID 71985639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).