(2S)-2-(3-methylbutoxy)-N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-4-yl]propanamide

C18H35N3O3 — CID 94824925

IUPAC(2S)-2-(3-methylbutoxy)-N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-4-yl]propanamide
SMILESCC(C)CCO[C@@H](C)C(=O)NC1CCN(CC(=O)NC(C)C)CC1
InChIInChI=1S/C18H35N3O3/c1-13(2)8-11-24-15(5)18(23)20-16-6-9-21(10-7-16)12-17(22)19-14(3)4/h13-16H,6-12H2,1-5H3,(H,19,22)(H,20,23)/t15-/m0/s1
InChIKeyJEFGWLUYZQBCKV-HNNXBMFYSA-N
MW341.50 g/mol
LogP1.54
Rot. Bonds9

About (2S)-2-(3-methylbutoxy)-N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-4-yl]propanamide

(2S)-2-(3-methylbutoxy)-N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-4-yl]propanamide (PubChem CID 94824925) has the molecular formula C18H35N3O3 and a molecular weight of 341.50 g/mol. Its IUPAC name is (2S)-2-(3-methylbutoxy)-N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-methylbutoxy)-N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-4-yl]propanamide
PubChem CID94824925
Molecular FormulaC18H35N3O3
Molecular Weight341.50 g/mol
Exact Mass341.27
IUPAC Name(2S)-2-(3-methylbutoxy)-N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-4-yl]propanamide
SMILESCC(C)CCO[C@@H](C)C(=O)NC1CCN(CC(=O)NC(C)C)CC1
InChIInChI=1S/C18H35N3O3/c1-13(2)8-11-24-15(5)18(23)20-16-6-9-21(10-7-16)12-17(22)19-14(3)4/h13-16H,6-12H2,1-5H3,(H,19,22)(H,20,23)/t15-/m0/s1
InChIKeyJEFGWLUYZQBCKV-HNNXBMFYSA-N
XLogP1.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-oxobutan-2-yl]acetamide
CID 46798170
(2S)-4-[2-(cycloheptylamino)-2-oxoethyl]-N,N-dimethylmorpholine-2-carboxamide
CID 129616085
N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 47031382
N-[2-(3-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 47036185
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 56808810
(2R)-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 93917669
(2R)-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 93917670
(2S)-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 93917671
(2S)-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 93917672
(2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 93931425
(2R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 93931426
(2R)-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 94119437

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylbutoxy)-N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-4-yl]propanamide?
The IUPAC name of (2S)-2-(3-methylbutoxy)-N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-4-yl]propanamide (CID 94824925) is (2S)-2-(3-methylbutoxy)-N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-4-yl]propanamide.
What is the SMILES notation for (2S)-2-(3-methylbutoxy)-N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-4-yl]propanamide?
The canonical SMILES for (2S)-2-(3-methylbutoxy)-N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-4-yl]propanamide is CC(C)CCO[C@@H](C)C(=O)NC1CCN(CC(=O)NC(C)C)CC1.
What is the InChIKey of (2S)-2-(3-methylbutoxy)-N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-4-yl]propanamide?
The InChIKey is JEFGWLUYZQBCKV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H35N3O3/c1-13(2)8-11-24-15(5)18(23)20-16-6-9-21(10-7-16)12-17(22)19-14(3)4/h13-16H,6-12H2,1-5H3,(H,19,22)(H,20,23)/t15-/m0/s1.
What are the key properties of (2S)-2-(3-methylbutoxy)-N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-4-yl]propanamide?
(2S)-2-(3-methylbutoxy)-N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-4-yl]propanamide has a molecular weight of 341.50 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylbutoxy)-N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 94824925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).