[4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone

C26H33N5O2 — CID 42420014

IUPAC[4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(N2CCC(NCCCn3ncc4ccccc43)CC2)cc1)N1CCOCC1
InChIInChI=1S/C26H33N5O2/c32-26(30-16-18-33-19-17-30)21-6-8-24(9-7-21)29-14-10-23(11-15-29)27-12-3-13-31-25-5-2-1-4-22(25)20-28-31/h1-2,4-9,20,23,27H,3,10-19H2
InChIKeyFIDQCFCEIWEBCX-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.16
Rot. Bonds7

About [4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone

[4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 42420014) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is [4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID42420014
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name[4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(N2CCC(NCCCn3ncc4ccccc43)CC2)cc1)N1CCOCC1
InChIInChI=1S/C26H33N5O2/c32-26(30-16-18-33-19-17-30)21-6-8-24(9-7-21)29-14-10-23(11-15-29)27-12-3-13-31-25-5-2-1-4-22(25)20-28-31/h1-2,4-9,20,23,27H,3,10-19H2
InChIKeyFIDQCFCEIWEBCX-UHFFFAOYSA-N
XLogP3.16
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone (CID 42420014) is [4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(N2CCC(NCCCn3ncc4ccccc43)CC2)cc1)N1CCOCC1.
What is the InChIKey of [4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is FIDQCFCEIWEBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c32-26(30-16-18-33-19-17-30)21-6-8-24(9-7-21)29-14-10-23(11-15-29)27-12-3-13-31-25-5-2-1-4-22(25)20-28-31/h1-2,4-9,20,23,27H,3,10-19H2.
What are the key properties of [4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone?
[4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 447.58 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42420014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).