(2R,3S)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-3-carboxamide

C17H30N4O3 — CID 120941888

IUPAC(2R,3S)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCN1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C17H30N4O3/c1-13-15(18-6-12-24-13)16(22)19-5-7-20-8-10-21(11-9-20)17(23)14-3-2-4-14/h13-15,18H,2-12H2,1H3,(H,19,22)/t13-,15+/m1/s1
InChIKeyVSCMBZJWMGDIKJ-HIFRSBDPSA-N
MW338.45 g/mol
LogP-0.58
Rot. Bonds5

About (2R,3S)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120941888) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2R,3S)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-3-carboxamide
PubChem CID120941888
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name(2R,3S)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCN1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C17H30N4O3/c1-13-15(18-6-12-24-13)16(22)19-5-7-20-8-10-21(11-9-20)17(23)14-3-2-4-14/h13-15,18H,2-12H2,1H3,(H,19,22)/t13-,15+/m1/s1
InChIKeyVSCMBZJWMGDIKJ-HIFRSBDPSA-N
XLogP-0.58
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]morpholine-3-carboxamide
CID 120942873
(2R,3S)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide
CID 120939222
(2R,3S)-2-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide
CID 120939237
(2R,3S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)morpholine-3-carboxamide;hydrochloride
CID 120923595
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 120932585
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 120919129
(2R,3S)-N-[2-[cyclohexyl(methyl)amino]ethyl]-2-methylmorpholine-3-carboxamide
CID 120939245
(2R,3S)-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-3-carboxamide
CID 120939853
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 131186208
(2R,3S)-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylmorpholine-3-carboxamide
CID 120940981
N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride
CID 120928753

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-3-carboxamide (CID 120941888) is (2R,3S)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NCCN1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of (2R,3S)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is VSCMBZJWMGDIKJ-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-13-15(18-6-12-24-13)16(22)19-5-7-20-8-10-21(11-9-20)17(23)14-3-2-4-14/h13-15,18H,2-12H2,1H3,(H,19,22)/t13-,15+/m1/s1.
What are the key properties of (2R,3S)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of -0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120941888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).