cyclopentylmethyl 4-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate

C18H27N3O3 — CID 58933785

IUPACcyclopentylmethyl 4-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate
SMILESO=C(NCC1CCN(C(=O)OCC2CCCC2)CC1)c1cc[nH]c1
InChIInChI=1S/C18H27N3O3/c22-17(16-5-8-19-12-16)20-11-14-6-9-21(10-7-14)18(23)24-13-15-3-1-2-4-15/h5,8,12,14-15,19H,1-4,6-7,9-11,13H2,(H,20,22)
InChIKeyDALSRPGRZRMYCB-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.78
Rot. Bonds5

About cyclopentylmethyl 4-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate

cyclopentylmethyl 4-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate (PubChem CID 58933785) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is cyclopentylmethyl 4-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namecyclopentylmethyl 4-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate
PubChem CID58933785
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Namecyclopentylmethyl 4-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate
SMILESO=C(NCC1CCN(C(=O)OCC2CCCC2)CC1)c1cc[nH]c1
InChIInChI=1S/C18H27N3O3/c22-17(16-5-8-19-12-16)20-11-14-6-9-21(10-7-14)18(23)24-13-15-3-1-2-4-15/h5,8,12,14-15,19H,1-4,6-7,9-11,13H2,(H,20,22)
InChIKeyDALSRPGRZRMYCB-UHFFFAOYSA-N
XLogP2.78
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 4-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of cyclopentylmethyl 4-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate (CID 58933785) is cyclopentylmethyl 4-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for cyclopentylmethyl 4-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for cyclopentylmethyl 4-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate is O=C(NCC1CCN(C(=O)OCC2CCCC2)CC1)c1cc[nH]c1.
What is the InChIKey of cyclopentylmethyl 4-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate?
The InChIKey is DALSRPGRZRMYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c22-17(16-5-8-19-12-16)20-11-14-6-9-21(10-7-14)18(23)24-13-15-3-1-2-4-15/h5,8,12,14-15,19H,1-4,6-7,9-11,13H2,(H,20,22).
What are the key properties of cyclopentylmethyl 4-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate?
cyclopentylmethyl 4-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl 4-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 58933785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).