tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamate

C37H47N5O7 — CID 86642093

IUPACtert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamate
SMILESCOc1ccc2c(n1)N(CC(COCc1ccccc1)N1CCC(N(Cc3cc4c(cn3)OCCO4)C(=O)OC(C)(C)C)CC1)C(=O)CC2
InChIInChI=1S/C37H47N5O7/c1-37(2,3)49-36(44)41(22-28-20-31-32(21-38-28)48-19-18-47-31)29-14-16-40(17-15-29)30(25-46-24-26-8-6-5-7-9-26)23-42-34(43)13-11-27-10-12-33(45-4)39-35(27)42/h5-10,12,20-21,29-30H,11,13-19,22-25H2,1-4H3
InChIKeyDDAKVOVMPMRCBA-UHFFFAOYSA-N
MW673.81 g/mol
LogP5.02
Rot. Bonds11

About tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamate

tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamate (PubChem CID 86642093) has the molecular formula C37H47N5O7 and a molecular weight of 673.81 g/mol. Its IUPAC name is tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamate
PubChem CID86642093
Molecular FormulaC37H47N5O7
Molecular Weight673.81 g/mol
Exact Mass673.35
IUPAC Nametert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamate
SMILESCOc1ccc2c(n1)N(CC(COCc1ccccc1)N1CCC(N(Cc3cc4c(cn3)OCCO4)C(=O)OC(C)(C)C)CC1)C(=O)CC2
InChIInChI=1S/C37H47N5O7/c1-37(2,3)49-36(44)41(22-28-20-31-32(21-38-28)48-19-18-47-31)29-14-16-40(17-15-29)30(25-46-24-26-8-6-5-7-9-26)23-42-34(43)13-11-27-10-12-33(45-4)39-35(27)42/h5-10,12,20-21,29-30H,11,13-19,22-25H2,1-4H3
InChIKeyDDAKVOVMPMRCBA-UHFFFAOYSA-N
XLogP5.02
TPSA115.79 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.81
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamate (CID 86642093) is tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamate is COc1ccc2c(n1)N(CC(COCc1ccccc1)N1CCC(N(Cc3cc4c(cn3)OCCO4)C(=O)OC(C)(C)C)CC1)C(=O)CC2.
What is the InChIKey of tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamate?
The InChIKey is DDAKVOVMPMRCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H47N5O7/c1-37(2,3)49-36(44)41(22-28-20-31-32(21-38-28)48-19-18-47-31)29-14-16-40(17-15-29)30(25-46-24-26-8-6-5-7-9-26)23-42-34(43)13-11-27-10-12-33(45-4)39-35(27)42/h5-10,12,20-21,29-30H,11,13-19,22-25H2,1-4H3.
What are the key properties of tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamate?
tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamate has a molecular weight of 673.81 g/mol, XLogP of 5.02, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-N-[1-[1-(7-methoxy-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)-3-phenylmethoxypropan-2-yl]piperidin-4-yl]carbamate is sourced from PubChem (CID 86642093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).