N-[2-(4-methoxyphenyl)ethyl]-3-[(3R,4S)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanamide

C32H41N3O3 — CID 133137901

IUPACN-[2-(4-methoxyphenyl)ethyl]-3-[(3R,4S)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(CCNC(=O)CC[C@@H]2CN(Cc3cccc4ccccc34)CC[C@@H]2N2CCOCC2)cc1
InChIInChI=1S/C32H41N3O3/c1-37-29-12-9-25(10-13-29)15-17-33-32(36)14-11-28-24-34(18-16-31(28)35-19-21-38-22-20-35)23-27-7-4-6-26-5-2-3-8-30(26)27/h2-10,12-13,28,31H,11,14-24H2,1H3,(H,33,36)/t28-,31+/m1/s1
InChIKeyRTCBAZMRHVLAMH-MVSFAKPFSA-N
MW515.70 g/mol
LogP4.51
Rot. Bonds10

About N-[2-(4-methoxyphenyl)ethyl]-3-[(3R,4S)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanamide

N-[2-(4-methoxyphenyl)ethyl]-3-[(3R,4S)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanamide (PubChem CID 133137901) has the molecular formula C32H41N3O3 and a molecular weight of 515.70 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-3-[(3R,4S)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-3-[(3R,4S)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanamide
PubChem CID133137901
Molecular FormulaC32H41N3O3
Molecular Weight515.70 g/mol
Exact Mass515.31
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-3-[(3R,4S)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(CCNC(=O)CC[C@@H]2CN(Cc3cccc4ccccc34)CC[C@@H]2N2CCOCC2)cc1
InChIInChI=1S/C32H41N3O3/c1-37-29-12-9-25(10-13-29)15-17-33-32(36)14-11-28-24-34(18-16-31(28)35-19-21-38-22-20-35)23-27-7-4-6-26-5-2-3-8-30(26)27/h2-10,12-13,28,31H,11,14-24H2,1H3,(H,33,36)/t28-,31+/m1/s1
InChIKeyRTCBAZMRHVLAMH-MVSFAKPFSA-N
XLogP4.51
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.70
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S,4R)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanoic acid
CID 118759116
3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ylpiperidin-3-yl]-N-(naphthalen-1-ylmethyl)propanamide
CID 118754967
3-[(3S,4R)-1-[(4-chlorophenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]-N-[(3,5-dimethoxyphenyl)methyl]propanamide
CID 29084395
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
3-[(3S,4R)-1-benzyl-4-morpholin-4-ylpiperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 28739752
methyl 3-[(3S,4R)-1-[(2-hydroxy-5-methoxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate
CID 26336414
methyl 3-[(3R,4S)-4-morpholin-4-yl-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanoate
CID 133122136
3-[(3S,4R)-1-[(4-chlorophenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]-N-[3-(dimethylamino)propyl]propanamide
CID 29087455
methyl 3-[(3S,4R)-1-[(2,6-difluorophenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate
CID 30852454
3-[(3S,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-yl]-N-(4-methoxyphenyl)propanamide
CID 126464264
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 16889551
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 N-[2-(4-methoxyphenyl)ethyl]-3-[(3R,4S)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-[(3R,4S)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanamide (CID 133137901) is N-[2-(4-methoxyphenyl)ethyl]-3-[(3R,4S)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-3-[(3R,4S)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-3-[(3R,4S)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanamide is COc1ccc(CCNC(=O)CC[C@@H]2CN(Cc3cccc4ccccc34)CC[C@@H]2N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-3-[(3R,4S)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanamide?
The InChIKey is RTCBAZMRHVLAMH-MVSFAKPFSA-N. The full InChI is InChI=1S/C32H41N3O3/c1-37-29-12-9-25(10-13-29)15-17-33-32(36)14-11-28-24-34(18-16-31(28)35-19-21-38-22-20-35)23-27-7-4-6-26-5-2-3-8-30(26)27/h2-10,12-13,28,31H,11,14-24H2,1H3,(H,33,36)/t28-,31+/m1/s1.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-3-[(3R,4S)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanamide?
N-[2-(4-methoxyphenyl)ethyl]-3-[(3R,4S)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanamide has a molecular weight of 515.70 g/mol, XLogP of 4.51, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-3-[(3R,4S)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 133137901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).