benzyl 4-[(1,6-naphthyridine-2-carbonylamino)methyl]piperidine-1-carboxylate

C23H24N4O3 — CID 58933576

IUPACbenzyl 4-[(1,6-naphthyridine-2-carbonylamino)methyl]piperidine-1-carboxylate
SMILESO=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccc2cnccc2n1
InChIInChI=1S/C23H24N4O3/c28-22(21-7-6-19-15-24-11-8-20(19)26-21)25-14-17-9-12-27(13-10-17)23(29)30-16-18-4-2-1-3-5-18/h1-8,11,15,17H,9-10,12-14,16H2,(H,25,28)
InChIKeyKDXPOALRJTXKHK-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.41
Rot. Bonds5

About benzyl 4-[(1,6-naphthyridine-2-carbonylamino)methyl]piperidine-1-carboxylate

benzyl 4-[(1,6-naphthyridine-2-carbonylamino)methyl]piperidine-1-carboxylate (PubChem CID 58933576) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is benzyl 4-[(1,6-naphthyridine-2-carbonylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(1,6-naphthyridine-2-carbonylamino)methyl]piperidine-1-carboxylate
PubChem CID58933576
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Namebenzyl 4-[(1,6-naphthyridine-2-carbonylamino)methyl]piperidine-1-carboxylate
SMILESO=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccc2cnccc2n1
InChIInChI=1S/C23H24N4O3/c28-22(21-7-6-19-15-24-11-8-20(19)26-21)25-14-17-9-12-27(13-10-17)23(29)30-16-18-4-2-1-3-5-18/h1-8,11,15,17H,9-10,12-14,16H2,(H,25,28)
InChIKeyKDXPOALRJTXKHK-UHFFFAOYSA-N
XLogP3.41
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(1,6-naphthyridine-2-carbonylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(1,6-naphthyridine-2-carbonylamino)methyl]piperidine-1-carboxylate (CID 58933576) is benzyl 4-[(1,6-naphthyridine-2-carbonylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(1,6-naphthyridine-2-carbonylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(1,6-naphthyridine-2-carbonylamino)methyl]piperidine-1-carboxylate is O=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccc2cnccc2n1.
What is the InChIKey of benzyl 4-[(1,6-naphthyridine-2-carbonylamino)methyl]piperidine-1-carboxylate?
The InChIKey is KDXPOALRJTXKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-22(21-7-6-19-15-24-11-8-20(19)26-21)25-14-17-9-12-27(13-10-17)23(29)30-16-18-4-2-1-3-5-18/h1-8,11,15,17H,9-10,12-14,16H2,(H,25,28).
What are the key properties of benzyl 4-[(1,6-naphthyridine-2-carbonylamino)methyl]piperidine-1-carboxylate?
benzyl 4-[(1,6-naphthyridine-2-carbonylamino)methyl]piperidine-1-carboxylate has a molecular weight of 404.47 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(1,6-naphthyridine-2-carbonylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 58933576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).