N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide

C19H30N2O3 — CID 119705625

IUPACN-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
SMILESCOc1ccc(OC)c(CCNC(=O)CC(C)C2CCNCC2)c1
InChIInChI=1S/C19H30N2O3/c1-14(15-6-9-20-10-7-15)12-19(22)21-11-8-16-13-17(23-2)4-5-18(16)24-3/h4-5,13-15,20H,6-12H2,1-3H3,(H,21,22)
InChIKeyDSUVNFUWRDRHLR-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.39
Rot. Bonds8

About N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide

N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide (PubChem CID 119705625) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
PubChem CID119705625
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
SMILESCOc1ccc(OC)c(CCNC(=O)CC(C)C2CCNCC2)c1
InChIInChI=1S/C19H30N2O3/c1-14(15-6-9-20-10-7-15)12-19(22)21-11-8-16-13-17(23-2)4-5-18(16)24-3/h4-5,13-15,20H,6-12H2,1-3H3,(H,21,22)
InChIKeyDSUVNFUWRDRHLR-UHFFFAOYSA-N
XLogP2.39
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705612
N-[3-(3,4-dimethoxyphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119754667
N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119703187
4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119718894
N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119705639
N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119797678
N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675421
N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119674855
N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119688197
N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705416
4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide
CID 120587964
N-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119708893

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide (CID 119705625) is N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide is COc1ccc(OC)c(CCNC(=O)CC(C)C2CCNCC2)c1.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide?
The InChIKey is DSUVNFUWRDRHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14(15-6-9-20-10-7-15)12-19(22)21-11-8-16-13-17(23-2)4-5-18(16)24-3/h4-5,13-15,20H,6-12H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide?
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide has a molecular weight of 334.46 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119705625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).