N-[2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]ethyl]-2-methylbenzamide

C22H27ClN2O2 — CID 142018826

IUPACN-[2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]ethyl]-2-methylbenzamide
SMILESCc1ccc(OC2CCN(CCNC(=O)c3ccccc3C)CC2)cc1Cl
InChIInChI=1S/C22H27ClN2O2/c1-16-5-3-4-6-20(16)22(26)24-11-14-25-12-9-18(10-13-25)27-19-8-7-17(2)21(23)15-19/h3-8,15,18H,9-14H2,1-2H3,(H,24,26)
InChIKeyIPTCTQPEAZZGJD-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.23
Rot. Bonds6

About N-[2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]ethyl]-2-methylbenzamide

N-[2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]ethyl]-2-methylbenzamide (PubChem CID 142018826) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is N-[2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]ethyl]-2-methylbenzamide
PubChem CID142018826
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC NameN-[2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]ethyl]-2-methylbenzamide
SMILESCc1ccc(OC2CCN(CCNC(=O)c3ccccc3C)CC2)cc1Cl
InChIInChI=1S/C22H27ClN2O2/c1-16-5-3-4-6-20(16)22(26)24-11-14-25-12-9-18(10-13-25)27-19-8-7-17(2)21(23)15-19/h3-8,15,18H,9-14H2,1-2H3,(H,24,26)
InChIKeyIPTCTQPEAZZGJD-UHFFFAOYSA-N
XLogP4.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 22322378
4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 10112968
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
3-cyano-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 22322356
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxamide
CID 10164630
3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 10161188
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-methylbenzamide;hydrochloride
CID 18571726
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(2-sulfanylidene-1H-pyridin-3-yl)acetamide
CID 10138131
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2-methylbenzamide
CID 29195358

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]ethyl]-2-methylbenzamide (CID 142018826) is N-[2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]ethyl]-2-methylbenzamide is Cc1ccc(OC2CCN(CCNC(=O)c3ccccc3C)CC2)cc1Cl.
What is the InChIKey of N-[2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]ethyl]-2-methylbenzamide?
The InChIKey is IPTCTQPEAZZGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-16-5-3-4-6-20(16)22(26)24-11-14-25-12-9-18(10-13-25)27-19-8-7-17(2)21(23)15-19/h3-8,15,18H,9-14H2,1-2H3,(H,24,26).
What are the key properties of N-[2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]ethyl]-2-methylbenzamide?
N-[2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]ethyl]-2-methylbenzamide has a molecular weight of 386.92 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]ethyl]-2-methylbenzamide is sourced from PubChem (CID 142018826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).