N-(2-cyclopentylethyl)-2-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide;ethane

C29H43N3O2 — CID 145496383

IUPACN-(2-cyclopentylethyl)-2-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide;ethane
SMILESCC.O=C(Cc1ccc(-c2ccc(OCCN3CCCCC3)cc2)cn1)NCCC1CCCC1
InChIInChI=1S/C27H37N3O2.C2H6/c31-27(28-15-14-22-6-2-3-7-22)20-25-11-8-24(21-29-25)23-9-12-26(13-10-23)32-19-18-30-16-4-1-5-17-30;1-2/h8-13,21-22H,1-7,14-20H2,(H,28,31);1-2H3
InChIKeyYTFLPLFVTPNSAR-UHFFFAOYSA-N
MW465.68 g/mol
LogP5.88
Rot. Bonds10

About N-(2-cyclopentylethyl)-2-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide;ethane

N-(2-cyclopentylethyl)-2-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide;ethane (PubChem CID 145496383) has the molecular formula C29H43N3O2 and a molecular weight of 465.68 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-2-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide;ethane.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-2-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide;ethane
PubChem CID145496383
Molecular FormulaC29H43N3O2
Molecular Weight465.68 g/mol
Exact Mass465.34
IUPAC NameN-(2-cyclopentylethyl)-2-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide;ethane
SMILESCC.O=C(Cc1ccc(-c2ccc(OCCN3CCCCC3)cc2)cn1)NCCC1CCCC1
InChIInChI=1S/C27H37N3O2.C2H6/c31-27(28-15-14-22-6-2-3-7-22)20-25-11-8-24(21-29-25)23-9-12-26(13-10-23)32-19-18-30-16-4-1-5-17-30;1-2/h8-13,21-22H,1-7,14-20H2,(H,28,31);1-2H3
InChIKeyYTFLPLFVTPNSAR-UHFFFAOYSA-N
XLogP5.88
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.68
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopentylethyl)-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide
CID 59529212
2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]methyl]acetamide
CID 11504134
N-[(3-fluorophenyl)methyl]-2-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]acetamide
CID 59000643
N-benzyl-2-[5-[4-[2-[4-(2-cyclopropylacetyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 155925939
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
N-[(3-fluorophenyl)methyl]-2-[5-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide
CID 24944841
N-[(E)-2-ethyl-6-fluorohex-2-en-4-ynyl]-2-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
CID 143602140
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
N-benzyl-2-[5-[4-(4-morpholin-4-ylbutoxy)phenyl]-2-pyridinyl]acetamide
CID 166626298
N-benzyl-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;methane;methyl 2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetate;phenylmethanamine
CID 158207902
N-[(1R)-1-cyclohexylethyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetamide
CID 59529223
2-(5-amino-2-pyridinyl)-N-(2-cyclopropylethyl)acetamide;hydrochloride
CID 120633863

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-2-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide;ethane?
The IUPAC name of N-(2-cyclopentylethyl)-2-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide;ethane (CID 145496383) is N-(2-cyclopentylethyl)-2-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide;ethane.
What is the SMILES notation for N-(2-cyclopentylethyl)-2-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide;ethane?
The canonical SMILES for N-(2-cyclopentylethyl)-2-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide;ethane is CC.O=C(Cc1ccc(-c2ccc(OCCN3CCCCC3)cc2)cn1)NCCC1CCCC1.
What is the InChIKey of N-(2-cyclopentylethyl)-2-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide;ethane?
The InChIKey is YTFLPLFVTPNSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O2.C2H6/c31-27(28-15-14-22-6-2-3-7-22)20-25-11-8-24(21-29-25)23-9-12-26(13-10-23)32-19-18-30-16-4-1-5-17-30;1-2/h8-13,21-22H,1-7,14-20H2,(H,28,31);1-2H3.
What are the key properties of N-(2-cyclopentylethyl)-2-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide;ethane?
N-(2-cyclopentylethyl)-2-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide;ethane has a molecular weight of 465.68 g/mol, XLogP of 5.88, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-2-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide;ethane is sourced from PubChem (CID 145496383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).