3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ylpiperidin-3-yl]-N-(naphthalen-1-ylmethyl)propanamide

C27H39N3O2 — CID 118754967

IUPAC3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ylpiperidin-3-yl]-N-(naphthalen-1-ylmethyl)propanamide
SMILESCC(C)CN1CC[C@@H](N2CCOCC2)[C@@H](CCC(=O)NCc2cccc3ccccc23)C1
InChIInChI=1S/C27H39N3O2/c1-21(2)19-29-13-12-26(30-14-16-32-17-15-30)24(20-29)10-11-27(31)28-18-23-8-5-7-22-6-3-4-9-25(22)23/h3-9,21,24,26H,10-20H2,1-2H3,(H,28,31)/t24-,26+/m0/s1
InChIKeyUXOZCHATCPFGBG-AZGAKELHSA-N
MW437.63 g/mol
LogP3.91
Rot. Bonds8

About 3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ylpiperidin-3-yl]-N-(naphthalen-1-ylmethyl)propanamide

3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ylpiperidin-3-yl]-N-(naphthalen-1-ylmethyl)propanamide (PubChem CID 118754967) has the molecular formula C27H39N3O2 and a molecular weight of 437.63 g/mol. Its IUPAC name is 3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ylpiperidin-3-yl]-N-(naphthalen-1-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ylpiperidin-3-yl]-N-(naphthalen-1-ylmethyl)propanamide
PubChem CID118754967
Molecular FormulaC27H39N3O2
Molecular Weight437.63 g/mol
Exact Mass437.30
IUPAC Name3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ylpiperidin-3-yl]-N-(naphthalen-1-ylmethyl)propanamide
SMILESCC(C)CN1CC[C@@H](N2CCOCC2)[C@@H](CCC(=O)NCc2cccc3ccccc23)C1
InChIInChI=1S/C27H39N3O2/c1-21(2)19-29-13-12-26(30-14-16-32-17-15-30)24(20-29)10-11-27(31)28-18-23-8-5-7-22-6-3-4-9-25(22)23/h3-9,21,24,26H,10-20H2,1-2H3,(H,28,31)/t24-,26+/m0/s1
InChIKeyUXOZCHATCPFGBG-AZGAKELHSA-N
XLogP3.91
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.63
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S,4R)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanoic acid
CID 118759116
N-[2-(4-methoxyphenyl)ethyl]-3-[(3R,4S)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanamide
CID 133137901
3-[(3S,4R)-1-benzyl-4-morpholin-4-ylpiperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 28739752
3-[(3S,4R)-1-[(4-chlorophenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]-N-[(3,5-dimethoxyphenyl)methyl]propanamide
CID 29084395
N-cyclopentyl-3-[(3S,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(2-methylpropyl)piperidin-3-yl]propanamide
CID 56857828
methyl 3-[(3S,4R)-1-[(2,6-difluorophenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate
CID 30852454
3-[(3S,4R)-1-[(2,3-dimethoxyphenyl)methyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 45248346
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-naphthalen-1-ylpropanamide
CID 53278818
3-[(3S,4R)-1-[(4-chlorophenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]-N-[3-(dimethylamino)propyl]propanamide
CID 29087455
methyl 3-[(3R,4S)-4-morpholin-4-yl-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanoate
CID 133122136
[(2S)-2-morpholin-4-ylcyclohexyl] 2-naphthalen-1-ylacetate
CID 59981697
3-[(3S,4R)-1-[(2,3-dimethoxyphenyl)methyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 118756858

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ylpiperidin-3-yl]-N-(naphthalen-1-ylmethyl)propanamide?
The IUPAC name of 3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ylpiperidin-3-yl]-N-(naphthalen-1-ylmethyl)propanamide (CID 118754967) is 3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ylpiperidin-3-yl]-N-(naphthalen-1-ylmethyl)propanamide.
What is the SMILES notation for 3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ylpiperidin-3-yl]-N-(naphthalen-1-ylmethyl)propanamide?
The canonical SMILES for 3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ylpiperidin-3-yl]-N-(naphthalen-1-ylmethyl)propanamide is CC(C)CN1CC[C@@H](N2CCOCC2)[C@@H](CCC(=O)NCc2cccc3ccccc23)C1.
What is the InChIKey of 3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ylpiperidin-3-yl]-N-(naphthalen-1-ylmethyl)propanamide?
The InChIKey is UXOZCHATCPFGBG-AZGAKELHSA-N. The full InChI is InChI=1S/C27H39N3O2/c1-21(2)19-29-13-12-26(30-14-16-32-17-15-30)24(20-29)10-11-27(31)28-18-23-8-5-7-22-6-3-4-9-25(22)23/h3-9,21,24,26H,10-20H2,1-2H3,(H,28,31)/t24-,26+/m0/s1.
What are the key properties of 3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ylpiperidin-3-yl]-N-(naphthalen-1-ylmethyl)propanamide?
3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ylpiperidin-3-yl]-N-(naphthalen-1-ylmethyl)propanamide has a molecular weight of 437.63 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ylpiperidin-3-yl]-N-(naphthalen-1-ylmethyl)propanamide is sourced from PubChem (CID 118754967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).