N-[(3S)-1-[3-(4-cyanophenoxy)phenyl]piperidin-3-yl]-2-(cyclopropylmethoxy)acetamide

C24H27N3O3 — CID 177185989

IUPACN-[(3S)-1-[3-(4-cyanophenoxy)phenyl]piperidin-3-yl]-2-(cyclopropylmethoxy)acetamide
SMILESN#Cc1ccc(Oc2cccc(N3CCC[C@H](NC(=O)COCC4CC4)C3)c2)cc1
InChIInChI=1S/C24H27N3O3/c25-14-18-8-10-22(11-9-18)30-23-5-1-4-21(13-23)27-12-2-3-20(15-27)26-24(28)17-29-16-19-6-7-19/h1,4-5,8-11,13,19-20H,2-3,6-7,12,15-17H2,(H,26,28)/t20-/m0/s1
InChIKeyJAGZROXNXCDMGS-FQEVSTJZSA-N
MW405.50 g/mol
LogP3.86
Rot. Bonds8

About N-[(3S)-1-[3-(4-cyanophenoxy)phenyl]piperidin-3-yl]-2-(cyclopropylmethoxy)acetamide

N-[(3S)-1-[3-(4-cyanophenoxy)phenyl]piperidin-3-yl]-2-(cyclopropylmethoxy)acetamide (PubChem CID 177185989) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[(3S)-1-[3-(4-cyanophenoxy)phenyl]piperidin-3-yl]-2-(cyclopropylmethoxy)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[3-(4-cyanophenoxy)phenyl]piperidin-3-yl]-2-(cyclopropylmethoxy)acetamide
PubChem CID177185989
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[(3S)-1-[3-(4-cyanophenoxy)phenyl]piperidin-3-yl]-2-(cyclopropylmethoxy)acetamide
SMILESN#Cc1ccc(Oc2cccc(N3CCC[C@H](NC(=O)COCC4CC4)C3)c2)cc1
InChIInChI=1S/C24H27N3O3/c25-14-18-8-10-22(11-9-18)30-23-5-1-4-21(13-23)27-12-2-3-20(15-27)26-24(28)17-29-16-19-6-7-19/h1,4-5,8-11,13,19-20H,2-3,6-7,12,15-17H2,(H,26,28)/t20-/m0/s1
InChIKeyJAGZROXNXCDMGS-FQEVSTJZSA-N
XLogP3.86
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 119884236
2-phenoxy-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide
CID 177185716
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide;dihydrochloride
CID 119884229
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide
CID 119884246
2-[(3-methyloxetan-3-yl)methoxy]-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide
CID 177186053
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53318242
2-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
CID 146485945
2-(4-chloro-3-fluorophenoxy)-N-[(3S)-1-[3-(difluoromethyl)phenyl]piperidin-3-yl]acetamide
CID 175733306
N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119884239
2-(cyclobutylmethoxy)acetamide;5-(3-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyrimidine
CID 177185925
N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-3-yl]butanamide
CID 133354731
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-2-(3-methyl-4-pyridinyl)acetamide
CID 124618191

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[3-(4-cyanophenoxy)phenyl]piperidin-3-yl]-2-(cyclopropylmethoxy)acetamide?
The IUPAC name of N-[(3S)-1-[3-(4-cyanophenoxy)phenyl]piperidin-3-yl]-2-(cyclopropylmethoxy)acetamide (CID 177185989) is N-[(3S)-1-[3-(4-cyanophenoxy)phenyl]piperidin-3-yl]-2-(cyclopropylmethoxy)acetamide.
What is the SMILES notation for N-[(3S)-1-[3-(4-cyanophenoxy)phenyl]piperidin-3-yl]-2-(cyclopropylmethoxy)acetamide?
The canonical SMILES for N-[(3S)-1-[3-(4-cyanophenoxy)phenyl]piperidin-3-yl]-2-(cyclopropylmethoxy)acetamide is N#Cc1ccc(Oc2cccc(N3CCC[C@H](NC(=O)COCC4CC4)C3)c2)cc1.
What is the InChIKey of N-[(3S)-1-[3-(4-cyanophenoxy)phenyl]piperidin-3-yl]-2-(cyclopropylmethoxy)acetamide?
The InChIKey is JAGZROXNXCDMGS-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H27N3O3/c25-14-18-8-10-22(11-9-18)30-23-5-1-4-21(13-23)27-12-2-3-20(15-27)26-24(28)17-29-16-19-6-7-19/h1,4-5,8-11,13,19-20H,2-3,6-7,12,15-17H2,(H,26,28)/t20-/m0/s1.
What are the key properties of N-[(3S)-1-[3-(4-cyanophenoxy)phenyl]piperidin-3-yl]-2-(cyclopropylmethoxy)acetamide?
N-[(3S)-1-[3-(4-cyanophenoxy)phenyl]piperidin-3-yl]-2-(cyclopropylmethoxy)acetamide has a molecular weight of 405.50 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[3-(4-cyanophenoxy)phenyl]piperidin-3-yl]-2-(cyclopropylmethoxy)acetamide is sourced from PubChem (CID 177185989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).