methyl 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate

C19H26ClN3O3 — CID 55353705

IUPACmethyl 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CN2CCN(c3ccccc3Cl)CC2)CC1
InChIInChI=1S/C19H26ClN3O3/c1-26-19(25)15-6-8-23(9-7-15)18(24)14-21-10-12-22(13-11-21)17-5-3-2-4-16(17)20/h2-5,15H,6-14H2,1H3
InChIKeyMHSYBRGNWXYVRJ-UHFFFAOYSA-N
MW379.89 g/mol
LogP1.87
Rot. Bonds4

About methyl 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate

methyl 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate (PubChem CID 55353705) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is methyl 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
PubChem CID55353705
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Namemethyl 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CN2CCN(c3ccccc3Cl)CC2)CC1
InChIInChI=1S/C19H26ClN3O3/c1-26-19(25)15-6-8-23(9-7-15)18(24)14-21-10-12-22(13-11-21)17-5-3-2-4-16(17)20/h2-5,15H,6-14H2,1H3
InChIKeyMHSYBRGNWXYVRJ-UHFFFAOYSA-N
XLogP1.87
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate
CID 47006242
methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 43404780
methyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
CID 55505875
methyl 1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxylate
CID 717639
ethyl 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
CID 46056192
2-[4-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 87012618
methyl 1-(2-fluorophenyl)piperidine-4-carboxylate
CID 117028042
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 18545117
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethanone
CID 57442804
1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone
CID 70715112
methyl 1-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]piperidine-4-carboxylate
CID 8742080
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78782303

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate (CID 55353705) is methyl 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CN2CCN(c3ccccc3Cl)CC2)CC1.
What is the InChIKey of methyl 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate?
The InChIKey is MHSYBRGNWXYVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c1-26-19(25)15-6-8-23(9-7-15)18(24)14-21-10-12-22(13-11-21)17-5-3-2-4-16(17)20/h2-5,15H,6-14H2,1H3.
What are the key properties of methyl 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate?
methyl 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate has a molecular weight of 379.89 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 55353705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).