(3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide

C22H27N3O3 — CID 52523404

IUPAC(3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
SMILESCc1cccc(OCC(=O)Nc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)c1
InChIInChI=1S/C22H27N3O3/c1-16-4-2-6-20(12-16)28-15-21(26)24-19-9-7-17(8-10-19)13-25-11-3-5-18(14-25)22(23)27/h2,4,6-10,12,18H,3,5,11,13-15H2,1H3,(H2,23,27)(H,24,26)/t18-/m0/s1
InChIKeyKONAANJGXRCYNW-SFHVURJKSA-N
MW381.48 g/mol
LogP2.71
Rot. Bonds7

About (3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide

(3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 52523404) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
PubChem CID52523404
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
SMILESCc1cccc(OCC(=O)Nc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)c1
InChIInChI=1S/C22H27N3O3/c1-16-4-2-6-20(12-16)28-15-21(26)24-19-9-7-17(8-10-19)13-25-11-3-5-18(14-25)22(23)27/h2,4,6-10,12,18H,3,5,11,13-15H2,1H3,(H2,23,27)(H,24,26)/t18-/m0/s1
InChIKeyKONAANJGXRCYNW-SFHVURJKSA-N
XLogP2.71
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 108743731
1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872163
2-(3,5-dimethylphenoxy)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 925596
1-[[4-[3-(3-cyclopentyloxyphenyl)propanoylamino]phenyl]methyl]piperidine-3-carboxamide
CID 56509678
1-[[4-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56507902
1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872164
1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 119872107
2-(3-methylphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687320
2-(4-chloro-3-methylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 2197171
1-[[4-[3-(2-aminophenyl)propanoylamino]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 120612866
1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506760
1-[[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 120645895

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide (CID 52523404) is (3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide is Cc1cccc(OCC(=O)Nc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)c1.
What is the InChIKey of (3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is KONAANJGXRCYNW-SFHVURJKSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-4-2-6-20(12-16)28-15-21(26)24-19-9-7-17(8-10-19)13-25-11-3-5-18(14-25)22(23)27/h2,4,6-10,12,18H,3,5,11,13-15H2,1H3,(H2,23,27)(H,24,26)/t18-/m0/s1.
What are the key properties of (3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide?
(3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 52523404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).