1-ethoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide

C23H36N2O3 — CID 133246779

IUPAC1-ethoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(OCCCN3CCCCC3C)cc2)CCCC1
InChIInChI=1S/C23H36N2O3/c1-3-28-23(14-5-6-15-23)22(26)24-20-10-12-21(13-11-20)27-18-8-17-25-16-7-4-9-19(25)2/h10-13,19H,3-9,14-18H2,1-2H3,(H,24,26)
InChIKeyARBBDOMBESPRPC-UHFFFAOYSA-N
MW388.55 g/mol
LogP4.62
Rot. Bonds9

About 1-ethoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide

1-ethoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide (PubChem CID 133246779) has the molecular formula C23H36N2O3 and a molecular weight of 388.55 g/mol. Its IUPAC name is 1-ethoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-ethoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
PubChem CID133246779
Molecular FormulaC23H36N2O3
Molecular Weight388.55 g/mol
Exact Mass388.27
IUPAC Name1-ethoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(OCCCN3CCCCC3C)cc2)CCCC1
InChIInChI=1S/C23H36N2O3/c1-3-28-23(14-5-6-15-23)22(26)24-20-10-12-21(13-11-20)27-18-8-17-25-16-7-4-9-19(25)2/h10-13,19H,3-9,14-18H2,1-2H3,(H,24,26)
InChIKeyARBBDOMBESPRPC-UHFFFAOYSA-N
XLogP4.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-4-methyl-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclohexane-1-carboxamide
CID 125060354
1-ethoxy-4-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclohexane-1-carboxamide
CID 100734391
trans-(1S,3R)-1-ethoxy-3-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100732660
1-methyl-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
CID 133245840
1-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100703803
1-ethoxy-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100730558
1-(2-chlorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide
CID 100666816
1-(4-methoxyphenyl)-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclohexane-1-carboxamide
CID 133187938
1-(2-chlorophenyl)-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
CID 133188318
N-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide
CID 100730341
1-ethoxy-4-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide
CID 100734194
N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-4-phenyloxane-4-carboxamide
CID 100679341

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-ethoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide (CID 133246779) is 1-ethoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-ethoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-ethoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide is CCOC1(C(=O)Nc2ccc(OCCCN3CCCCC3C)cc2)CCCC1.
What is the InChIKey of 1-ethoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide?
The InChIKey is ARBBDOMBESPRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O3/c1-3-28-23(14-5-6-15-23)22(26)24-20-10-12-21(13-11-20)27-18-8-17-25-16-7-4-9-19(25)2/h10-13,19H,3-9,14-18H2,1-2H3,(H,24,26).
What are the key properties of 1-ethoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide?
1-ethoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide has a molecular weight of 388.55 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 133246779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).