4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide

C21H25Cl2N3O2 — CID 10112968

IUPAC4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
SMILESNCc1ccc(C(=O)NCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C21H25Cl2N3O2/c22-19-6-5-18(13-20(19)23)28-17-7-10-26(11-8-17)12-9-25-21(27)16-3-1-15(14-24)2-4-16/h1-6,13,17H,7-12,14,24H2,(H,25,27)
InChIKeyPIOPNYHIIBJDKK-UHFFFAOYSA-N
MW422.36 g/mol
LogP3.73
Rot. Bonds7

About 4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide

4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide (PubChem CID 10112968) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
PubChem CID10112968
Molecular FormulaC21H25Cl2N3O2
Molecular Weight422.36 g/mol
Exact Mass421.13
IUPAC Name4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
SMILESNCc1ccc(C(=O)NCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C21H25Cl2N3O2/c22-19-6-5-18(13-20(19)23)28-17-7-10-26(11-8-17)12-9-25-21(27)16-3-1-15(14-24)2-4-16/h1-6,13,17H,7-12,14,24H2,(H,25,27)
InChIKeyPIOPNYHIIBJDKK-UHFFFAOYSA-N
XLogP3.73
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide
CID 22322216
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-hydroxybenzamide;hydrochloride
CID 22322198
3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 10161188
3-cyano-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 22322356
2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide
CID 22322419
N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide
CID 153458835
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 22322378
[4-(aminomethyl)phenyl]-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119341930
N-[2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]ethyl]-2-methylbenzamide
CID 142018826
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(2-sulfanylidene-1H-pyridin-3-yl)acetamide
CID 10138131
2-(5-chloro-1-benzothiophen-3-yl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide
CID 10163831
4-(aminomethyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide
CID 119901794

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide (CID 10112968) is 4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide is NCc1ccc(C(=O)NCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide?
The InChIKey is PIOPNYHIIBJDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O2/c22-19-6-5-18(13-20(19)23)28-17-7-10-26(11-8-17)12-9-25-21(27)16-3-1-15(14-24)2-4-16/h1-6,13,17H,7-12,14,24H2,(H,25,27).
What are the key properties of 4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide?
4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide has a molecular weight of 422.36 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 10112968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).