[3-[1-(4-methylphenyl)ethylamino]phenyl]-piperidin-1-ylmethanone

C21H26N2O — CID 138042653

IUPAC[3-[1-(4-methylphenyl)ethylamino]phenyl]-piperidin-1-ylmethanone
SMILESCc1ccc(C(C)Nc2cccc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C21H26N2O/c1-16-9-11-18(12-10-16)17(2)22-20-8-6-7-19(15-20)21(24)23-13-4-3-5-14-23/h6-12,15,17,22H,3-5,13-14H2,1-2H3
InChIKeyPIUQDLOWFSSLMF-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.79
Rot. Bonds4

About [3-[1-(4-methylphenyl)ethylamino]phenyl]-piperidin-1-ylmethanone

[3-[1-(4-methylphenyl)ethylamino]phenyl]-piperidin-1-ylmethanone (PubChem CID 138042653) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is [3-[1-(4-methylphenyl)ethylamino]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[1-(4-methylphenyl)ethylamino]phenyl]-piperidin-1-ylmethanone
PubChem CID138042653
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name[3-[1-(4-methylphenyl)ethylamino]phenyl]-piperidin-1-ylmethanone
SMILESCc1ccc(C(C)Nc2cccc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C21H26N2O/c1-16-9-11-18(12-10-16)17(2)22-20-8-6-7-19(15-20)21(24)23-13-4-3-5-14-23/h6-12,15,17,22H,3-5,13-14H2,1-2H3
InChIKeyPIUQDLOWFSSLMF-UHFFFAOYSA-N
XLogP4.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(azepane-1-carbonyl)phenyl]-3-[1-(4-fluorophenyl)ethyl]urea
CID 72860619
1-[3-(azepane-1-carbonyl)phenyl]-3-[(1S)-1-(4-fluorophenyl)ethyl]urea
CID 97436456
N-[3-(azepane-1-carbonyl)phenyl]-2-(1-phenylethylamino)acetamide
CID 54815077
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
pyrrolidin-1-yl-[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methanone
CID 75498371
[3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 70790157
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
N-(1-phenylethyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54840957
3-(azocane-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 24982887
N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 2361079
N-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843624
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 55597478

Frequently Asked Questions

What is the IUPAC name of [3-[1-(4-methylphenyl)ethylamino]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[1-(4-methylphenyl)ethylamino]phenyl]-piperidin-1-ylmethanone (CID 138042653) is [3-[1-(4-methylphenyl)ethylamino]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[1-(4-methylphenyl)ethylamino]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[1-(4-methylphenyl)ethylamino]phenyl]-piperidin-1-ylmethanone is Cc1ccc(C(C)Nc2cccc(C(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of [3-[1-(4-methylphenyl)ethylamino]phenyl]-piperidin-1-ylmethanone?
The InChIKey is PIUQDLOWFSSLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16-9-11-18(12-10-16)17(2)22-20-8-6-7-19(15-20)21(24)23-13-4-3-5-14-23/h6-12,15,17,22H,3-5,13-14H2,1-2H3.
What are the key properties of [3-[1-(4-methylphenyl)ethylamino]phenyl]-piperidin-1-ylmethanone?
[3-[1-(4-methylphenyl)ethylamino]phenyl]-piperidin-1-ylmethanone has a molecular weight of 322.45 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(4-methylphenyl)ethylamino]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 138042653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).