N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide

C19H29ClN2O3 — CID 119731433

IUPACN-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
SMILESCCOc1c(Cl)cc(CNC(=O)CC(C)C2CCNCC2)cc1OC
InChIInChI=1S/C19H29ClN2O3/c1-4-25-19-16(20)10-14(11-17(19)24-3)12-22-18(23)9-13(2)15-5-7-21-8-6-15/h10-11,13,15,21H,4-9,12H2,1-3H3,(H,22,23)
InChIKeyARKWSLFJBDRXOV-UHFFFAOYSA-N
MW368.91 g/mol
LogP3.39
Rot. Bonds8

About N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide

N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide (PubChem CID 119731433) has the molecular formula C19H29ClN2O3 and a molecular weight of 368.91 g/mol. Its IUPAC name is N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
PubChem CID119731433
Molecular FormulaC19H29ClN2O3
Molecular Weight368.91 g/mol
Exact Mass368.19
IUPAC NameN-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
SMILESCCOc1c(Cl)cc(CNC(=O)CC(C)C2CCNCC2)cc1OC
InChIInChI=1S/C19H29ClN2O3/c1-4-25-19-16(20)10-14(11-17(19)24-3)12-22-18(23)9-13(2)15-5-7-21-8-6-15/h10-11,13,15,21H,4-9,12H2,1-3H3,(H,22,23)
InChIKeyARKWSLFJBDRXOV-UHFFFAOYSA-N
XLogP3.39
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119674855
1,3-bis[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]urea
CID 166185875
N-[(3-ethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119714483
3-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]propanamide
CID 119293697
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714575
3-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119293696
N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675421
N-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718287
N-[[4-(methoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718138
N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119730501
cis-(1S,2R)-2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131649
N-[3-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-3-oxo-1-phenylpropyl]benzamide
CID 55891488

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide (CID 119731433) is N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide is CCOc1c(Cl)cc(CNC(=O)CC(C)C2CCNCC2)cc1OC.
What is the InChIKey of N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide?
The InChIKey is ARKWSLFJBDRXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O3/c1-4-25-19-16(20)10-14(11-17(19)24-3)12-22-18(23)9-13(2)15-5-7-21-8-6-15/h10-11,13,15,21H,4-9,12H2,1-3H3,(H,22,23).
What are the key properties of N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide?
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide has a molecular weight of 368.91 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119731433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).