methyl 1-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxylate

C20H31N3O2 — CID 15518521

IUPACmethyl 1-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCCN2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C20H31N3O2/c1-25-20(24)18-8-12-21(13-9-18)10-5-11-22-14-16-23(17-15-22)19-6-3-2-4-7-19/h2-4,6-7,18H,5,8-17H2,1H3
InChIKeyMARFRBSKYDLJIG-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.08
Rot. Bonds6

About methyl 1-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxylate

methyl 1-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxylate (PubChem CID 15518521) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is methyl 1-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxylate
PubChem CID15518521
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Namemethyl 1-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCCN2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C20H31N3O2/c1-25-20(24)18-8-12-21(13-9-18)10-5-11-22-14-16-23(17-15-22)19-6-3-2-4-7-19/h2-4,6-7,18H,5,8-17H2,1H3
InChIKeyMARFRBSKYDLJIG-UHFFFAOYSA-N
XLogP2.08
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Remifentanil
CID 60815
methyl 1-(5-(18F)fluoropentyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 11552587
Ethyl 1-(3-((4-fluorophenyl)amino)-3-oxopropyl)piperidine-4-carboxylate
CID 740130
1-[4-(Dimethylamino)benzyl]isonipecotic acid ethyl ester
CID 763998
[4-(2-Fluorophenyl)piperazin-1-yl][1-(2-methylpropyl)piperidin-4-yl]methanone
CID 883940
3-Methyl-1-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]butan-1-one
CID 948802
methyl 1-(4-methoxy-4-oxobutyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 14873781
Aep-IN-1
CID 164516839
methyl 1-(2-methoxy-2-oxoethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 14873779
Ethyl 1-[3-oxo-3-(phenylamino)propyl]piperidine-4-carboxylate
CID 739985
methyl 4-[4-(N-propanoylanilino)piperidin-1-yl]butanoate
CID 14873773
Ethyl 1-[4-amino-3-(4-ethoxycarbonylpiperidin-1-yl)phenyl]piperidine-4-carboxylate
CID 168297073

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxylate (CID 15518521) is methyl 1-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxylate is COC(=O)C1CCN(CCCN2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of methyl 1-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxylate?
The InChIKey is MARFRBSKYDLJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-25-20(24)18-8-12-21(13-9-18)10-5-11-22-14-16-23(17-15-22)19-6-3-2-4-7-19/h2-4,6-7,18H,5,8-17H2,1H3.
What are the key properties of methyl 1-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxylate?
methyl 1-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxylate has a molecular weight of 345.49 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxylate is sourced from PubChem (CID 15518521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).