N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-piperidin-3-ylbutanamide

C23H37N3O2 — CID 119829702

IUPACN-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-piperidin-3-ylbutanamide
SMILESCOc1ccc(C(CNC(=O)CC(C)C2CCCNC2)N2CCCCC2)cc1
InChIInChI=1S/C23H37N3O2/c1-18(20-7-6-12-24-16-20)15-23(27)25-17-22(26-13-4-3-5-14-26)19-8-10-21(28-2)11-9-19/h8-11,18,20,22,24H,3-7,12-17H2,1-2H3,(H,25,27)
InChIKeyJXQXYOUMYILYGO-UHFFFAOYSA-N
MW387.57 g/mol
LogP3.36
Rot. Bonds8

About N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-piperidin-3-ylbutanamide

N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-piperidin-3-ylbutanamide (PubChem CID 119829702) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-piperidin-3-ylbutanamide
PubChem CID119829702
Molecular FormulaC23H37N3O2
Molecular Weight387.57 g/mol
Exact Mass387.29
IUPAC NameN-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-piperidin-3-ylbutanamide
SMILESCOc1ccc(C(CNC(=O)CC(C)C2CCCNC2)N2CCCCC2)cc1
InChIInChI=1S/C23H37N3O2/c1-18(20-7-6-12-24-16-20)15-23(27)25-17-22(26-13-4-3-5-14-26)19-8-10-21(28-2)11-9-19/h8-11,18,20,22,24H,3-7,12-17H2,1-2H3,(H,25,27)
InChIKeyJXQXYOUMYILYGO-UHFFFAOYSA-N
XLogP3.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrrolidine-3-carboxamide
CID 119829732
3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829578
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-4-ylbutanamide
CID 119866502
N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119693479
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119703187
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705612
3-(cyclohexylcarbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 16620946
2-(4-methoxyphenoxy)-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 45155317
2-(3,5-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 40776120
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-piperidin-3-ylbutanamide
CID 119751711

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-piperidin-3-ylbutanamide (CID 119829702) is N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-piperidin-3-ylbutanamide is COc1ccc(C(CNC(=O)CC(C)C2CCCNC2)N2CCCCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-piperidin-3-ylbutanamide?
The InChIKey is JXQXYOUMYILYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2/c1-18(20-7-6-12-24-16-20)15-23(27)25-17-22(26-13-4-3-5-14-26)19-8-10-21(28-2)11-9-19/h8-11,18,20,22,24H,3-7,12-17H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-piperidin-3-ylbutanamide?
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-piperidin-3-ylbutanamide has a molecular weight of 387.57 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119829702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).