4-(2-amino-2-oxoethyl)-1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidine-4-carboxamide

C21H24ClN3O3 — CID 91500077

IUPAC4-(2-amino-2-oxoethyl)-1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)CC1(C(N)=O)CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1
InChIInChI=1S/C21H24ClN3O3/c22-17-6-1-2-7-18(17)28-16-5-3-4-15(12-16)14-25-10-8-21(9-11-25,20(24)27)13-19(23)26/h1-7,12H,8-11,13-14H2,(H2,23,26)(H2,24,27)
InChIKeyYDNZFBHCUXBNMS-UHFFFAOYSA-N
MW401.89 g/mol
LogP3.08
Rot. Bonds7

About 4-(2-amino-2-oxoethyl)-1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidine-4-carboxamide

4-(2-amino-2-oxoethyl)-1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 91500077) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethyl)-1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethyl)-1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidine-4-carboxamide
PubChem CID91500077
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name4-(2-amino-2-oxoethyl)-1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)CC1(C(N)=O)CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1
InChIInChI=1S/C21H24ClN3O3/c22-17-6-1-2-7-18(17)28-16-5-3-4-15(12-16)14-25-10-8-21(9-11-25,20(24)27)13-19(23)26/h1-7,12H,8-11,13-14H2,(H2,23,26)(H2,24,27)
InChIKeyYDNZFBHCUXBNMS-UHFFFAOYSA-N
XLogP3.08
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-amino-2-oxoethyl)-1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidin-4-yl]-1-ethyl-4-thiophen-3-ylpiperidine-4-carboxamide
CID 91588997
1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine
CID 1376909
9-[[3-(4-chlorophenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 67535423
1-(2,4-dichlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 91229708
1-(4-chlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopentane-1-carboxamide
CID 90990967
[9-[[3-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1-oxidopyridin-1-ium-2-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 87631692
[3-[3-(piperidin-1-ylmethyl)phenoxy]phenyl]methanol
CID 68777108
1-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046255
2-[[4-(2-chlorophenoxy)phenyl]methylsulfanyl]acetamide
CID 11558602
1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]-2-phenylethanone
CID 59140034
ethyl 1-[(3-chloro-4-methoxyphenyl)methyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate
CID 70701251
2-[(2R)-4-benzyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]acetamide
CID 124960032

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethyl)-1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 4-(2-amino-2-oxoethyl)-1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidine-4-carboxamide (CID 91500077) is 4-(2-amino-2-oxoethyl)-1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(2-amino-2-oxoethyl)-1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(2-amino-2-oxoethyl)-1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidine-4-carboxamide is NC(=O)CC1(C(N)=O)CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1.
What is the InChIKey of 4-(2-amino-2-oxoethyl)-1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is YDNZFBHCUXBNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c22-17-6-1-2-7-18(17)28-16-5-3-4-15(12-16)14-25-10-8-21(9-11-25,20(24)27)13-19(23)26/h1-7,12H,8-11,13-14H2,(H2,23,26)(H2,24,27).
What are the key properties of 4-(2-amino-2-oxoethyl)-1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidine-4-carboxamide?
4-(2-amino-2-oxoethyl)-1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 401.89 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethyl)-1-[[3-(2-chlorophenoxy)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 91500077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).