(2S)-2-(3,5-dimethoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide

C22H28N2O4 — CID 7550636

IUPAC(2S)-2-(3,5-dimethoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCOc1cc(OC)cc(O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C22H28N2O4/c1-16(28-21-14-19(26-2)13-20(15-21)27-3)22(25)23-17-7-9-18(10-8-17)24-11-5-4-6-12-24/h7-10,13-16H,4-6,11-12H2,1-3H3,(H,23,25)/t16-/m0/s1
InChIKeyYHOXWGCCUWOQLC-INIZCTEOSA-N
MW384.48 g/mol
LogP4.10
Rot. Bonds7

About (2S)-2-(3,5-dimethoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide

(2S)-2-(3,5-dimethoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 7550636) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID7550636
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name(2S)-2-(3,5-dimethoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCOc1cc(OC)cc(O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C22H28N2O4/c1-16(28-21-14-19(26-2)13-20(15-21)27-3)22(25)23-17-7-9-18(10-8-17)24-11-5-4-6-12-24/h7-10,13-16H,4-6,11-12H2,1-3H3,(H,23,25)/t16-/m0/s1
InChIKeyYHOXWGCCUWOQLC-INIZCTEOSA-N
XLogP4.10
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100506199
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 3,5-dimethoxybenzoate
CID 8528312
(2R)-2-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 95077718
2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 51157992
N-[4-(azepan-1-yl)phenyl]-2-(4-chlorophenoxy)propanamide
CID 18291163
2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 18268297
2-(4-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166686
(2R)-2-(2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550758
2-(4-bromophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166744
(2R)-2-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 8002204
(2S)-2-(4-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 95712950
(2S)-2-(3,5-dimethoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 41156755

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of (2S)-2-(3,5-dimethoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide (CID 7550636) is (2S)-2-(3,5-dimethoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-(3,5-dimethoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide is COc1cc(OC)cc(O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of (2S)-2-(3,5-dimethoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is YHOXWGCCUWOQLC-INIZCTEOSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-16(28-21-14-19(26-2)13-20(15-21)27-3)22(25)23-17-7-9-18(10-8-17)24-11-5-4-6-12-24/h7-10,13-16H,4-6,11-12H2,1-3H3,(H,23,25)/t16-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
(2S)-2-(3,5-dimethoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 384.48 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 7550636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).