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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Related Compounds

4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]pyridin-2-amine
CID 20744789
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-ethylpyridin-2-amine
CID 23646992
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-cyclopropylpyridin-2-amine
CID 23646993
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-benzylpyridin-2-amine
CID 23646994
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-methylpyridin-2-amine
CID 23646991
1-{4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]pyridin-2-yl}-1H-indole
CID 23646995
3-(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}pyridin-2-yl)-1-phenylurea
CID 23646966
N-(6-(2-methylpyridin-3-yloxy)pyridin-3-yl)indoline-1-carboxamide
CID 44298079
1-[4-[3-(Dimethylamino)-1-phenylpropoxy]phenyl]-3-(1-methylindol-5-yl)urea
CID 90656244
1-[4-[3-(Dimethylamino)-1-phenylpropoxy]phenyl]-3-(1-ethylindol-5-yl)urea
CID 90656247
N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-(6-methylbenzimidazol-1-yl)pyrimidin-4-amine
CID 134151279
4-indol-1-yl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrimidin-2-amine
CID 142745727

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).