2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide

C21H32N4O3 — CID 162806846

IUPAC2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCC[C@@H]1CN(C(=O)c2cccnc2)CC[C@H]1CC(=O)NCCN1CCOCC1
InChIInChI=1S/C21H32N4O3/c1-2-17-16-25(21(27)19-4-3-6-22-15-19)8-5-18(17)14-20(26)23-7-9-24-10-12-28-13-11-24/h3-4,6,15,17-18H,2,5,7-14,16H2,1H3,(H,23,26)/t17-,18+/m1/s1
InChIKeyMYNJPDKIHLNXNF-MSOLQXFVSA-N
MW388.51 g/mol
LogP1.41
Rot. Bonds7

About 2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide

2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 162806846) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID162806846
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCC[C@@H]1CN(C(=O)c2cccnc2)CC[C@H]1CC(=O)NCCN1CCOCC1
InChIInChI=1S/C21H32N4O3/c1-2-17-16-25(21(27)19-4-3-6-22-15-19)8-5-18(17)14-20(26)23-7-9-24-10-12-28-13-11-24/h3-4,6,15,17-18H,2,5,7-14,16H2,1H3,(H,23,26)/t17-,18+/m1/s1
InChIKeyMYNJPDKIHLNXNF-MSOLQXFVSA-N
XLogP1.41
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide with MolForge

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Related Compounds

2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 163182330
2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 162812465
2-[3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-naphthalen-1-ylacetamide
CID 74736422
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695
N-(2-morpholin-4-ylethyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110408170
2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 11913147
2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 163162329
N-(2-morpholin-4-ylethyl)-4-(pyridine-3-carbonyl)-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide
CID 97410601
N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide;hydrochloride
CID 2909951
2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 74693756
N-[2-(dimethylamino)ethyl]-2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]acetamide
CID 73138916
2-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 108994762

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide (CID 162806846) is 2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide is CC[C@@H]1CN(C(=O)c2cccnc2)CC[C@H]1CC(=O)NCCN1CCOCC1.
What is the InChIKey of 2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is MYNJPDKIHLNXNF-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-2-17-16-25(21(27)19-4-3-6-22-15-19)8-5-18(17)14-20(26)23-7-9-24-10-12-28-13-11-24/h3-4,6,15,17-18H,2,5,7-14,16H2,1H3,(H,23,26)/t17-,18+/m1/s1.
What are the key properties of 2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide?
2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 388.51 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 162806846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).