(3R,4S)-3-ethyl-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide

C19H36N4O3 — CID 28991281

IUPAC(3R,4S)-3-ethyl-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC[C@H]1CN(CC[C@H]1CC(=O)NCCN2CCOCC2)C(=O)NC(C)C
InChIInChI=1S/C19H36N4O3/c1-4-16-14-23(19(25)21-15(2)3)7-5-17(16)13-18(24)20-6-8-22-9-11-26-12-10-22/h15-17H,4-14H2,1-3H3,(H,20,24)(H,21,25)/t16-,17-/m0/s1
InChIKeyMFXFJYAUBZNIEZ-IRXDYDNUSA-N
MW368.50 g/mol
LogP0.80
Rot. Bonds7

About (3R,4S)-3-ethyl-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide

(3R,4S)-3-ethyl-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 28991281) has the molecular formula C19H36N4O3 and a molecular weight of 368.50 g/mol. Its IUPAC name is (3R,4S)-3-ethyl-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4S)-3-ethyl-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID28991281
Molecular FormulaC19H36N4O3
Molecular Weight368.50 g/mol
Exact Mass368.28
IUPAC Name(3R,4S)-3-ethyl-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC[C@H]1CN(CC[C@H]1CC(=O)NCCN2CCOCC2)C(=O)NC(C)C
InChIInChI=1S/C19H36N4O3/c1-4-16-14-23(19(25)21-15(2)3)7-5-17(16)13-18(24)20-6-8-22-9-11-26-12-10-22/h15-17H,4-14H2,1-3H3,(H,20,24)(H,21,25)/t16-,17-/m0/s1
InChIKeyMFXFJYAUBZNIEZ-IRXDYDNUSA-N
XLogP0.80
TPSA73.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity452

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,4S)-3-ethyl-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-[[4-(ethylamino)-4-oxobutyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 44330977
2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 11912271
3-N,3-N-diethyl-1-N-(2-morpholin-4-ylethyl)piperidine-1,3-dicarboxamide
CID 172437921
2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide
CID 11911991
(4aS*,8aR*)-1-[2-(methylamino)ethyl]-6-(morpholin-4-ylcarbonyl)octahydro-1,6-naphthyridin-2(1H)-one
CID 56883336
N-Isopropyl-9-(2-methoxyethyl)-1-methyl-10-oxo-1,4,9-triazaspiro[5.6]dodecane-4-carboxamide
CID 72879281
N-cyclohexyl-2-methyl-3-(morpholinocarbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 91911310
N-(tert-butyl)-2-methyl-3-(morpholinocarbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 91923416
2-methyl-3-(morpholine-4-carbonyl)-N-propan-2-yl-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 91923418
2-methyl-3-(morpholinocarbonyl)-N-propyl-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 91923419
2-Methyl-N-(2-methylpropyl)-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 91923422
1-(3,5-Dimethylmorpholin-4-yl)-3-piperidin-4-ylpropan-1-one
CID 120150449

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-ethyl-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of (3R,4S)-3-ethyl-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide (CID 28991281) is (3R,4S)-3-ethyl-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3R,4S)-3-ethyl-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for (3R,4S)-3-ethyl-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide is CC[C@H]1CN(CC[C@H]1CC(=O)NCCN2CCOCC2)C(=O)NC(C)C.
What is the InChIKey of (3R,4S)-3-ethyl-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is MFXFJYAUBZNIEZ-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H36N4O3/c1-4-16-14-23(19(25)21-15(2)3)7-5-17(16)13-18(24)20-6-8-22-9-11-26-12-10-22/h15-17H,4-14H2,1-3H3,(H,20,24)(H,21,25)/t16-,17-/m0/s1.
What are the key properties of (3R,4S)-3-ethyl-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?
(3R,4S)-3-ethyl-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-ethyl-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 28991281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).