(2R,3S)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide

C14H27N3O2 — CID 120939222

IUPAC(2R,3S)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide
SMILESCC1CCN(CCNC(=O)[C@H]2NCCO[C@@H]2C)CC1
InChIInChI=1S/C14H27N3O2/c1-11-3-7-17(8-4-11)9-5-16-14(18)13-12(2)19-10-6-15-13/h11-13,15H,3-10H2,1-2H3,(H,16,18)/t12-,13+/m1/s1
InChIKeyYJQRPRRWLHYUQY-OLZOCXBDSA-N
MW269.39 g/mol
LogP0.21
Rot. Bonds4

About (2R,3S)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide (PubChem CID 120939222) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide
PubChem CID120939222
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name(2R,3S)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide
SMILESCC1CCN(CCNC(=O)[C@H]2NCCO[C@@H]2C)CC1
InChIInChI=1S/C14H27N3O2/c1-11-3-7-17(8-4-11)9-5-16-14(18)13-12(2)19-10-6-15-13/h11-13,15H,3-10H2,1-2H3,(H,16,18)/t12-,13+/m1/s1
InChIKeyYJQRPRRWLHYUQY-OLZOCXBDSA-N
XLogP0.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

LM11A-31
CID 18604758
2-amino-3-methyl-N-[2-(morpholin-4-yl)ethyl]pentanamide
CID 11959372
N1-((1-isopropylpiperidin-4-yl)methyl)-N2-(2-morpholinoethyl)oxalamide
CID 16886595
N-[1-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-oxobutan-2-yl]acetamide
CID 46798170
9-(3-Ethoxypropanoyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56745306
N-(3-methylpentan-2-yl)morpholine-3-carboxamide
CID 65517865
(2R,3S)-N-(cyclopropylmethyl)-N,2-dimethylmorpholine-3-carboxamide
CID 120926207
N-[(2S,3S)-3-methyl-1-(6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl)-1-oxopentan-2-yl]acetamide
CID 132345139
N-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide
CID 164604744
2-methyl-N-[(2S,3R)-3-(oxan-4-ylmethoxy)-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]propanamide
CID 170758245
N-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide;ethane
CID 170758719
N-[(2S,3R)-3-(oxan-4-ylmethoxy)-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide
CID 170759180

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide (CID 120939222) is (2R,3S)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide is CC1CCN(CCNC(=O)[C@H]2NCCO[C@@H]2C)CC1.
What is the InChIKey of (2R,3S)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide?
The InChIKey is YJQRPRRWLHYUQY-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11-3-7-17(8-4-11)9-5-16-14(18)13-12(2)19-10-6-15-13/h11-13,15H,3-10H2,1-2H3,(H,16,18)/t12-,13+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 120939222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).