N-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride

C20H33ClN2O3 — CID 119270790

IUPACN-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCCCOc1ccc(C(C)NC(=O)C2CCNCC2)cc1OCCC.Cl
InChIInChI=1S/C20H32N2O3.ClH/c1-4-12-24-18-7-6-17(14-19(18)25-13-5-2)15(3)22-20(23)16-8-10-21-11-9-16;/h6-7,14-16,21H,4-5,8-13H2,1-3H3,(H,22,23);1H
InChIKeyVOAAXMJBQYDCOB-UHFFFAOYSA-N
MW384.95 g/mol
LogP3.86
Rot. Bonds9

About N-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride

N-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119270790) has the molecular formula C20H33ClN2O3 and a molecular weight of 384.95 g/mol. Its IUPAC name is N-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119270790
Molecular FormulaC20H33ClN2O3
Molecular Weight384.95 g/mol
Exact Mass384.22
IUPAC NameN-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCCCOc1ccc(C(C)NC(=O)C2CCNCC2)cc1OCCC.Cl
InChIInChI=1S/C20H32N2O3.ClH/c1-4-12-24-18-7-6-17(14-19(18)25-13-5-2)15(3)22-20(23)16-8-10-21-11-9-16;/h6-7,14-16,21H,4-5,8-13H2,1-3H3,(H,22,23);1H
InChIKeyVOAAXMJBQYDCOB-UHFFFAOYSA-N
XLogP3.86
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672678
3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119688640
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 119294139
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 61166375
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287478
3-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 119688642
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]piperidine-4-carboxamide
CID 119274977
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43707174
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 42958517
N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287627
N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119267767
trans-(1R,2R)-2-[[(1S)-1-(3-methoxy-4-propoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124857094

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride (CID 119270790) is N-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride is CCCOc1ccc(C(C)NC(=O)C2CCNCC2)cc1OCCC.Cl.
What is the InChIKey of N-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is VOAAXMJBQYDCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3.ClH/c1-4-12-24-18-7-6-17(14-19(18)25-13-5-2)15(3)22-20(23)16-8-10-21-11-9-16;/h6-7,14-16,21H,4-5,8-13H2,1-3H3,(H,22,23);1H.
What are the key properties of N-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride?
N-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 384.95 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119270790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).