(3R)-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide

C15H29N3O3S — CID 124616862

IUPAC(3R)-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESC[C@@H](C[S@@](C)=O)NC(=O)N1CCC[C@H](CN2CCOCC2)C1
InChIInChI=1S/C15H29N3O3S/c1-13(12-22(2)20)16-15(19)18-5-3-4-14(11-18)10-17-6-8-21-9-7-17/h13-14H,3-12H2,1-2H3,(H,16,19)/t13-,14+,22+/m0/s1
InChIKeyIPXBSNSSZMFLNY-DJEJFTSGSA-N
MW331.48 g/mol
LogP0.51
Rot. Bonds5

About (3R)-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide

(3R)-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide (PubChem CID 124616862) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is (3R)-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
PubChem CID124616862
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC Name(3R)-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESC[C@@H](C[S@@](C)=O)NC(=O)N1CCC[C@H](CN2CCOCC2)C1
InChIInChI=1S/C15H29N3O3S/c1-13(12-22(2)20)16-15(19)18-5-3-4-14(11-18)10-17-6-8-21-9-7-17/h13-14H,3-12H2,1-2H3,(H,16,19)/t13-,14+,22+/m0/s1
InChIKeyIPXBSNSSZMFLNY-DJEJFTSGSA-N
XLogP0.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide with MolForge

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Related Compounds

(2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 119875808
N-butan-2-yl-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 110624587
2-hydroxy-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone
CID 111464634
(3S)-3-[(4-methylpiperidin-1-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide
CID 124777449
4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 126446645
2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 131914309
(3R)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-pyrrolidin-1-ylazepane-1-carboxamide
CID 97211788
1-[3-(morpholin-4-ylmethyl)azetidin-1-yl]ethanone
CID 130138001
2-[methyl-[(4-methylphenyl)methyl]amino]-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 91793315
N-[4-methyl-3-(propanoylamino)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 74245672
(3S)-3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide
CID 96525579
2-[1-(pentan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690824

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide (CID 124616862) is (3R)-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide is C[C@@H](C[S@@](C)=O)NC(=O)N1CCC[C@H](CN2CCOCC2)C1.
What is the InChIKey of (3R)-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The InChIKey is IPXBSNSSZMFLNY-DJEJFTSGSA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-13(12-22(2)20)16-15(19)18-5-3-4-14(11-18)10-17-6-8-21-9-7-17/h13-14H,3-12H2,1-2H3,(H,16,19)/t13-,14+,22+/m0/s1.
What are the key properties of (3R)-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
(3R)-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide has a molecular weight of 331.48 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 124616862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).