N-phenyl-4-[[2-(4-propoxyphenoxy)acetyl]amino]piperidine-1-carboxamide

C23H29N3O4 — CID 55501742

IUPACN-phenyl-4-[[2-(4-propoxyphenoxy)acetyl]amino]piperidine-1-carboxamide
SMILESCCCOc1ccc(OCC(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O4/c1-2-16-29-20-8-10-21(11-9-20)30-17-22(27)24-19-12-14-26(15-13-19)23(28)25-18-6-4-3-5-7-18/h3-11,19H,2,12-17H2,1H3,(H,24,27)(H,25,28)
InChIKeySFZURVNMCYGUGS-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.67
Rot. Bonds8

About N-phenyl-4-[[2-(4-propoxyphenoxy)acetyl]amino]piperidine-1-carboxamide

N-phenyl-4-[[2-(4-propoxyphenoxy)acetyl]amino]piperidine-1-carboxamide (PubChem CID 55501742) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-phenyl-4-[[2-(4-propoxyphenoxy)acetyl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-[[2-(4-propoxyphenoxy)acetyl]amino]piperidine-1-carboxamide
PubChem CID55501742
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-phenyl-4-[[2-(4-propoxyphenoxy)acetyl]amino]piperidine-1-carboxamide
SMILESCCCOc1ccc(OCC(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O4/c1-2-16-29-20-8-10-21(11-9-20)30-17-22(27)24-19-12-14-26(15-13-19)23(28)25-18-6-4-3-5-7-18/h3-11,19H,2,12-17H2,1H3,(H,24,27)(H,25,28)
InChIKeySFZURVNMCYGUGS-UHFFFAOYSA-N
XLogP3.67
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide
CID 51324376
4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 51324414
N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]-2-(4-propoxyphenoxy)acetamide
CID 99808583
4-[[2-(2-fluorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 51324417
4-[[2-(2-chlorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 46700417
4-(pentanoylamino)-N-(4-phenoxyphenyl)piperidine-1-carboxamide
CID 127145242
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
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383
ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 4009402
N-(4-hydroxycyclohexyl)-2-(4-propoxyphenoxy)acetamide
CID 78767377
4-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 46700486

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[[2-(4-propoxyphenoxy)acetyl]amino]piperidine-1-carboxamide?
The IUPAC name of N-phenyl-4-[[2-(4-propoxyphenoxy)acetyl]amino]piperidine-1-carboxamide (CID 55501742) is N-phenyl-4-[[2-(4-propoxyphenoxy)acetyl]amino]piperidine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-[[2-(4-propoxyphenoxy)acetyl]amino]piperidine-1-carboxamide?
The canonical SMILES for N-phenyl-4-[[2-(4-propoxyphenoxy)acetyl]amino]piperidine-1-carboxamide is CCCOc1ccc(OCC(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of N-phenyl-4-[[2-(4-propoxyphenoxy)acetyl]amino]piperidine-1-carboxamide?
The InChIKey is SFZURVNMCYGUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-2-16-29-20-8-10-21(11-9-20)30-17-22(27)24-19-12-14-26(15-13-19)23(28)25-18-6-4-3-5-7-18/h3-11,19H,2,12-17H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-phenyl-4-[[2-(4-propoxyphenoxy)acetyl]amino]piperidine-1-carboxamide?
N-phenyl-4-[[2-(4-propoxyphenoxy)acetyl]amino]piperidine-1-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[[2-(4-propoxyphenoxy)acetyl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 55501742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).