cyclopentylmethyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate

C22H31FN2O2 — CID 130453402

IUPACcyclopentylmethyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate
SMILESO=C(OCC1CCCC1)N1CCC(F)(CNC2CC2c2ccccc2)CC1
InChIInChI=1S/C22H31FN2O2/c23-22(16-24-20-14-19(20)18-8-2-1-3-9-18)10-12-25(13-11-22)21(26)27-15-17-6-4-5-7-17/h1-3,8-9,17,19-20,24H,4-7,10-16H2
InChIKeyPKDLSEBVMNODFN-UHFFFAOYSA-N
MW374.50 g/mol
LogP4.26
Rot. Bonds6

About cyclopentylmethyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate

cyclopentylmethyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 130453402) has the molecular formula C22H31FN2O2 and a molecular weight of 374.50 g/mol. Its IUPAC name is cyclopentylmethyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namecyclopentylmethyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate
PubChem CID130453402
Molecular FormulaC22H31FN2O2
Molecular Weight374.50 g/mol
Exact Mass374.24
IUPAC Namecyclopentylmethyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate
SMILESO=C(OCC1CCCC1)N1CCC(F)(CNC2CC2c2ccccc2)CC1
InChIInChI=1S/C22H31FN2O2/c23-22(16-24-20-14-19(20)18-8-2-1-3-9-18)10-12-25(13-11-22)21(26)27-15-17-6-4-5-7-17/h1-3,8-9,17,19-20,24H,4-7,10-16H2
InChIKeyPKDLSEBVMNODFN-UHFFFAOYSA-N
XLogP4.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of cyclopentylmethyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate (CID 130453402) is cyclopentylmethyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for cyclopentylmethyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for cyclopentylmethyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate is O=C(OCC1CCCC1)N1CCC(F)(CNC2CC2c2ccccc2)CC1.
What is the InChIKey of cyclopentylmethyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is PKDLSEBVMNODFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN2O2/c23-22(16-24-20-14-19(20)18-8-2-1-3-9-18)10-12-25(13-11-22)21(26)27-15-17-6-4-5-7-17/h1-3,8-9,17,19-20,24H,4-7,10-16H2.
What are the key properties of cyclopentylmethyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate?
cyclopentylmethyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 374.50 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 130453402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).