N-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]butanamide

C16H29N3O3 — CID 120929380

IUPACN-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NCC1CCCN(C(=O)[C@H]2NCCO[C@@H]2C)C1
InChIInChI=1S/C16H29N3O3/c1-3-5-14(20)18-10-13-6-4-8-19(11-13)16(21)15-12(2)22-9-7-17-15/h12-13,15,17H,3-11H2,1-2H3,(H,18,20)/t12-,13?,15+/m1/s1
InChIKeyXGMSTCHUXCHXRO-JHIQODARSA-N
MW311.43 g/mol
LogP0.52
Rot. Bonds5

About N-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]butanamide

N-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]butanamide (PubChem CID 120929380) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]butanamide
PubChem CID120929380
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC NameN-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NCC1CCCN(C(=O)[C@H]2NCCO[C@@H]2C)C1
InChIInChI=1S/C16H29N3O3/c1-3-5-14(20)18-10-13-6-4-8-19(11-13)16(21)15-12(2)22-9-7-17-15/h12-13,15,17H,3-11H2,1-2H3,(H,18,20)/t12-,13?,15+/m1/s1
InChIKeyXGMSTCHUXCHXRO-JHIQODARSA-N
XLogP0.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]propanamide
CID 120928873
1-(3-fluorophenyl)-3-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]urea
CID 120929396
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 120932585
N-[[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]butanamide
CID 71934329
[(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 120930831
N-[[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]morpholin-2-yl]methyl]acetamide
CID 120933214
[3-(diethylaminomethyl)pyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120942415
N-[[(3R)-1-[(1S)-1,2,3,4-tetrahydroisoquinoline-1-carbonyl]piperidin-3-yl]methyl]butanamide
CID 99849899
[1-(3-methylpiperidine-2-carbonyl)piperidin-3-yl]methylurea
CID 107067784
1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
CID 120916623
[(2R,3S)-2-methylmorpholin-3-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120932218
5-[3-[(butanoylamino)methyl]piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119183261

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]butanamide?
The IUPAC name of N-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]butanamide (CID 120929380) is N-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]butanamide.
What is the SMILES notation for N-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]butanamide?
The canonical SMILES for N-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]butanamide is CCCC(=O)NCC1CCCN(C(=O)[C@H]2NCCO[C@@H]2C)C1.
What is the InChIKey of N-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]butanamide?
The InChIKey is XGMSTCHUXCHXRO-JHIQODARSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-3-5-14(20)18-10-13-6-4-8-19(11-13)16(21)15-12(2)22-9-7-17-15/h12-13,15,17H,3-11H2,1-2H3,(H,18,20)/t12-,13?,15+/m1/s1.
What are the key properties of N-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]butanamide?
N-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]butanamide has a molecular weight of 311.43 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]butanamide is sourced from PubChem (CID 120929380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).