ethyl (3R,4R)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoylamino]piperidine-3-carboxylate

C18H23N5O4 — CID 57043032

IUPACethyl (3R,4R)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoylamino]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CNCC[C@H]1NC(=O)Nc1ccnc2ccc(OC)nc12
InChIInChI=1S/C18H23N5O4/c1-3-27-17(24)11-10-19-8-6-12(11)21-18(25)22-14-7-9-20-13-4-5-15(26-2)23-16(13)14/h4-5,7,9,11-12,19H,3,6,8,10H2,1-2H3,(H2,20,21,22,25)/t11-,12-/m1/s1
InChIKeyWTFTVZISQXNNIY-VXGBXAGGSA-N
MW373.41 g/mol
LogP1.30
Rot. Bonds5

About ethyl (3R,4R)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoylamino]piperidine-3-carboxylate

ethyl (3R,4R)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoylamino]piperidine-3-carboxylate (PubChem CID 57043032) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is ethyl (3R,4R)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoylamino]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R,4R)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoylamino]piperidine-3-carboxylate
PubChem CID57043032
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Nameethyl (3R,4R)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoylamino]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CNCC[C@H]1NC(=O)Nc1ccnc2ccc(OC)nc12
InChIInChI=1S/C18H23N5O4/c1-3-27-17(24)11-10-19-8-6-12(11)21-18(25)22-14-7-9-20-13-4-5-15(26-2)23-16(13)14/h4-5,7,9,11-12,19H,3,6,8,10H2,1-2H3,(H2,20,21,22,25)/t11-,12-/m1/s1
InChIKeyWTFTVZISQXNNIY-VXGBXAGGSA-N
XLogP1.30
TPSA114.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R,4R)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoylamino]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R,4R)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoylamino]piperidine-3-carboxylate (CID 57043032) is ethyl (3R,4R)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoylamino]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R,4R)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoylamino]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R,4R)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoylamino]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CNCC[C@H]1NC(=O)Nc1ccnc2ccc(OC)nc12.
What is the InChIKey of ethyl (3R,4R)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoylamino]piperidine-3-carboxylate?
The InChIKey is WTFTVZISQXNNIY-VXGBXAGGSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-3-27-17(24)11-10-19-8-6-12(11)21-18(25)22-14-7-9-20-13-4-5-15(26-2)23-16(13)14/h4-5,7,9,11-12,19H,3,6,8,10H2,1-2H3,(H2,20,21,22,25)/t11-,12-/m1/s1.
What are the key properties of ethyl (3R,4R)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoylamino]piperidine-3-carboxylate?
ethyl (3R,4R)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoylamino]piperidine-3-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,4R)-4-[(6-methoxy-1,5-naphthyridin-4-yl)carbamoylamino]piperidine-3-carboxylate is sourced from PubChem (CID 57043032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).