N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]-2-(4-propoxyphenoxy)acetamide

C24H32N2O3 — CID 99808583

IUPACN-[1-[(1S)-1-phenylethyl]piperidin-4-yl]-2-(4-propoxyphenoxy)acetamide
SMILESCCCOc1ccc(OCC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N2O3/c1-3-17-28-22-9-11-23(12-10-22)29-18-24(27)25-21-13-15-26(16-14-21)19(2)20-7-5-4-6-8-20/h4-12,19,21H,3,13-18H2,1-2H3,(H,25,27)/t19-/m0/s1
InChIKeyBVHRXPWSKWWOMS-IBGZPJMESA-N
MW396.53 g/mol
LogP4.20
Rot. Bonds9

About N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]-2-(4-propoxyphenoxy)acetamide

N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]-2-(4-propoxyphenoxy)acetamide (PubChem CID 99808583) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]-2-(4-propoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-[(1S)-1-phenylethyl]piperidin-4-yl]-2-(4-propoxyphenoxy)acetamide
PubChem CID99808583
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-[1-[(1S)-1-phenylethyl]piperidin-4-yl]-2-(4-propoxyphenoxy)acetamide
SMILESCCCOc1ccc(OCC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N2O3/c1-3-17-28-22-9-11-23(12-10-22)29-18-24(27)25-21-13-15-26(16-14-21)19(2)20-7-5-4-6-8-20/h4-12,19,21H,3,13-18H2,1-2H3,(H,25,27)/t19-/m0/s1
InChIKeyBVHRXPWSKWWOMS-IBGZPJMESA-N
XLogP4.20
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]acetamide
CID 97214154
2-(4-methoxyphenoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide
CID 98726631
2-(4-phenoxyphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 51324308
N-phenyl-4-[[2-(4-propoxyphenoxy)acetyl]amino]piperidine-1-carboxamide
CID 55501742
N-(4-hydroxycyclohexyl)-2-(4-propoxyphenoxy)acetamide
CID 78767377
N-(4-aminocyclohexyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride
CID 119474575
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
2-(4-ethoxyphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide
CID 108556308
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 32964517
ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 4009402
3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide
CID 120503779

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]-2-(4-propoxyphenoxy)acetamide?
The IUPAC name of N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]-2-(4-propoxyphenoxy)acetamide (CID 99808583) is N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]-2-(4-propoxyphenoxy)acetamide.
What is the SMILES notation for N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]-2-(4-propoxyphenoxy)acetamide?
The canonical SMILES for N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]-2-(4-propoxyphenoxy)acetamide is CCCOc1ccc(OCC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]-2-(4-propoxyphenoxy)acetamide?
The InChIKey is BVHRXPWSKWWOMS-IBGZPJMESA-N. The full InChI is InChI=1S/C24H32N2O3/c1-3-17-28-22-9-11-23(12-10-22)29-18-24(27)25-21-13-15-26(16-14-21)19(2)20-7-5-4-6-8-20/h4-12,19,21H,3,13-18H2,1-2H3,(H,25,27)/t19-/m0/s1.
What are the key properties of N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]-2-(4-propoxyphenoxy)acetamide?
N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]-2-(4-propoxyphenoxy)acetamide has a molecular weight of 396.53 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]-2-(4-propoxyphenoxy)acetamide is sourced from PubChem (CID 99808583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).