ethyl 4-(4-chloro-N-[2-(4-methoxyphenyl)acetyl]anilino)piperidine-1-carboxylate

C23H27ClN2O4 — CID 23339060

IUPACethyl 4-(4-chloro-N-[2-(4-methoxyphenyl)acetyl]anilino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(C(=O)Cc2ccc(OC)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H27ClN2O4/c1-3-30-23(28)25-14-12-20(13-15-25)26(19-8-6-18(24)7-9-19)22(27)16-17-4-10-21(29-2)11-5-17/h4-11,20H,3,12-16H2,1-2H3
InChIKeyKYJAEJLRLOEKSK-UHFFFAOYSA-N
MW430.93 g/mol
LogP4.55
Rot. Bonds6

About ethyl 4-(4-chloro-N-[2-(4-methoxyphenyl)acetyl]anilino)piperidine-1-carboxylate

ethyl 4-(4-chloro-N-[2-(4-methoxyphenyl)acetyl]anilino)piperidine-1-carboxylate (PubChem CID 23339060) has the molecular formula C23H27ClN2O4 and a molecular weight of 430.93 g/mol. Its IUPAC name is ethyl 4-(4-chloro-N-[2-(4-methoxyphenyl)acetyl]anilino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-chloro-N-[2-(4-methoxyphenyl)acetyl]anilino)piperidine-1-carboxylate
PubChem CID23339060
Molecular FormulaC23H27ClN2O4
Molecular Weight430.93 g/mol
Exact Mass430.17
IUPAC Nameethyl 4-(4-chloro-N-[2-(4-methoxyphenyl)acetyl]anilino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(C(=O)Cc2ccc(OC)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H27ClN2O4/c1-3-30-23(28)25-14-12-20(13-15-25)26(19-8-6-18(24)7-9-19)22(27)16-17-4-10-21(29-2)11-5-17/h4-11,20H,3,12-16H2,1-2H3
InChIKeyKYJAEJLRLOEKSK-UHFFFAOYSA-N
XLogP4.55
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.93
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-bis(4-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride
CID 23339055
N-(4-methoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 42853290
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
CID 23512961
N,2-bis(4-chlorophenyl)-N-piperidin-4-ylacetamide
CID 23338995
ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate
CID 2846531
2-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide
CID 42853361
ethyl 3-[(4-chlorophenyl)methyl-ethylamino]pyrrolidine-1-carboxylate
CID 66758743
N-(3-fluoro-4-methylphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butanamide
CID 46048329
1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110866811
1-O-(4-chlorophenyl) 4-O-ethyl piperidine-1,4-dicarboxylate
CID 127548047
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N,2-bis(4-methoxyphenyl)acetamide
CID 20881985
2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-prop-2-enylacetamide
CID 89167069

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-chloro-N-[2-(4-methoxyphenyl)acetyl]anilino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-chloro-N-[2-(4-methoxyphenyl)acetyl]anilino)piperidine-1-carboxylate (CID 23339060) is ethyl 4-(4-chloro-N-[2-(4-methoxyphenyl)acetyl]anilino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-chloro-N-[2-(4-methoxyphenyl)acetyl]anilino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-chloro-N-[2-(4-methoxyphenyl)acetyl]anilino)piperidine-1-carboxylate is CCOC(=O)N1CCC(N(C(=O)Cc2ccc(OC)cc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of ethyl 4-(4-chloro-N-[2-(4-methoxyphenyl)acetyl]anilino)piperidine-1-carboxylate?
The InChIKey is KYJAEJLRLOEKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O4/c1-3-30-23(28)25-14-12-20(13-15-25)26(19-8-6-18(24)7-9-19)22(27)16-17-4-10-21(29-2)11-5-17/h4-11,20H,3,12-16H2,1-2H3.
What are the key properties of ethyl 4-(4-chloro-N-[2-(4-methoxyphenyl)acetyl]anilino)piperidine-1-carboxylate?
ethyl 4-(4-chloro-N-[2-(4-methoxyphenyl)acetyl]anilino)piperidine-1-carboxylate has a molecular weight of 430.93 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-chloro-N-[2-(4-methoxyphenyl)acetyl]anilino)piperidine-1-carboxylate is sourced from PubChem (CID 23339060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).