2-(4-methylpiperidin-1-ium-1-yl)-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide

C21H35N3O2+2 — CID 8558211

IUPAC2-(4-methylpiperidin-1-ium-1-yl)-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide
SMILESCC1CC[NH+](CC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+]2CCOCC2)CC1
InChIInChI=1S/C21H33N3O2/c1-17-8-10-23(11-9-17)16-20(25)22-18(2)21(19-6-4-3-5-7-19)24-12-14-26-15-13-24/h3-7,17-18,21H,8-16H2,1-2H3,(H,22,25)/p+2/t18-,21+/m0/s1
InChIKeyUWSIIANHSVFUNU-GHTZIAJQSA-P
MW361.53 g/mol
LogP-0.54
Rot. Bonds6

About 2-(4-methylpiperidin-1-ium-1-yl)-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide

2-(4-methylpiperidin-1-ium-1-yl)-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide (PubChem CID 8558211) has the molecular formula C21H35N3O2+2 and a molecular weight of 361.53 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-ium-1-yl)-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-ium-1-yl)-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide
PubChem CID8558211
Molecular FormulaC21H35N3O2+2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC Name2-(4-methylpiperidin-1-ium-1-yl)-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide
SMILESCC1CC[NH+](CC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+]2CCOCC2)CC1
InChIInChI=1S/C21H33N3O2/c1-17-8-10-23(11-9-17)16-20(25)22-18(2)21(19-6-4-3-5-7-19)24-12-14-26-15-13-24/h3-7,17-18,21H,8-16H2,1-2H3,(H,22,25)/p+2/t18-,21+/m0/s1
InChIKeyUWSIIANHSVFUNU-GHTZIAJQSA-P
XLogP-0.54
TPSA47.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-(4-methylpiperidin-1-ium-1-yl)-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-[2-[[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8772993
2-cyclopentyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide
CID 2510636
1-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-phenylurea
CID 2325919
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[(1R,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]amino]-2-oxoethyl]azanium
CID 8637239
2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide
CID 8908519
2-(2,4-difluorophenyl)sulfanyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide
CID 8771179
4-chloro-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]benzamide
CID 2328030
1-(4-fluorophenyl)-3-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]urea
CID 2326049
5-methyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide
CID 2510659
5-methyl-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide
CID 2510663
N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-phenylpropanethioamide
CID 2326065
N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 8558326

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-ium-1-yl)-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide?
The IUPAC name of 2-(4-methylpiperidin-1-ium-1-yl)-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide (CID 8558211) is 2-(4-methylpiperidin-1-ium-1-yl)-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-ium-1-yl)-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide?
The canonical SMILES for 2-(4-methylpiperidin-1-ium-1-yl)-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide is CC1CC[NH+](CC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+]2CCOCC2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-ium-1-yl)-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide?
The InChIKey is UWSIIANHSVFUNU-GHTZIAJQSA-P. The full InChI is InChI=1S/C21H33N3O2/c1-17-8-10-23(11-9-17)16-20(25)22-18(2)21(19-6-4-3-5-7-19)24-12-14-26-15-13-24/h3-7,17-18,21H,8-16H2,1-2H3,(H,22,25)/p+2/t18-,21+/m0/s1.
What are the key properties of 2-(4-methylpiperidin-1-ium-1-yl)-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide?
2-(4-methylpiperidin-1-ium-1-yl)-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide has a molecular weight of 361.53 g/mol, XLogP of -0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-ium-1-yl)-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 8558211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).