propan-2-yl N-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]carbamate

C22H26N4O3 — CID 67807509

IUPACpropan-2-yl N-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]carbamate
SMILESCC(C)OC(=O)Nc1ccc2c(ccn2-c2ccc(OC3CCNCC3)cn2)c1
InChIInChI=1S/C22H26N4O3/c1-15(2)28-22(27)25-17-3-5-20-16(13-17)9-12-26(20)21-6-4-19(14-24-21)29-18-7-10-23-11-8-18/h3-6,9,12-15,18,23H,7-8,10-11H2,1-2H3,(H,25,27)
InChIKeyKQLNOWXRTNBDOG-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.11
Rot. Bonds5

About propan-2-yl N-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]carbamate

propan-2-yl N-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]carbamate (PubChem CID 67807509) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is propan-2-yl N-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]carbamate
PubChem CID67807509
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Namepropan-2-yl N-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]carbamate
SMILESCC(C)OC(=O)Nc1ccc2c(ccn2-c2ccc(OC3CCNCC3)cn2)c1
InChIInChI=1S/C22H26N4O3/c1-15(2)28-22(27)25-17-3-5-20-16(13-17)9-12-26(20)21-6-4-19(14-24-21)29-18-7-10-23-11-8-18/h3-6,9,12-15,18,23H,7-8,10-11H2,1-2H3,(H,25,27)
InChIKeyKQLNOWXRTNBDOG-UHFFFAOYSA-N
XLogP4.11
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]carbamate?
The IUPAC name of propan-2-yl N-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]carbamate (CID 67807509) is propan-2-yl N-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]carbamate?
The canonical SMILES for propan-2-yl N-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]carbamate is CC(C)OC(=O)Nc1ccc2c(ccn2-c2ccc(OC3CCNCC3)cn2)c1.
What is the InChIKey of propan-2-yl N-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]carbamate?
The InChIKey is KQLNOWXRTNBDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15(2)28-22(27)25-17-3-5-20-16(13-17)9-12-26(20)21-6-4-19(14-24-21)29-18-7-10-23-11-8-18/h3-6,9,12-15,18,23H,7-8,10-11H2,1-2H3,(H,25,27).
What are the key properties of propan-2-yl N-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]carbamate?
propan-2-yl N-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]carbamate has a molecular weight of 394.48 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]carbamate is sourced from PubChem (CID 67807509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).