1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylurea

C26H33FN4O — CID 10365753

IUPAC1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylurea
SMILESCc1ccc2c(C3CCN(CCNC(=O)NC(C)C)CC3)cn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C26H33FN4O/c1-18(2)29-26(32)28-12-15-30-13-10-20(11-14-30)24-17-31(22-7-5-21(27)6-8-22)25-16-19(3)4-9-23(24)25/h4-9,16-18,20H,10-15H2,1-3H3,(H2,28,29,32)
InChIKeyVINVVWQQTYVRCW-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.97
Rot. Bonds6

About 1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylurea

1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylurea (PubChem CID 10365753) has the molecular formula C26H33FN4O and a molecular weight of 436.58 g/mol. Its IUPAC name is 1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylurea
PubChem CID10365753
Molecular FormulaC26H33FN4O
Molecular Weight436.58 g/mol
Exact Mass436.26
IUPAC Name1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylurea
SMILESCc1ccc2c(C3CCN(CCNC(=O)NC(C)C)CC3)cn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C26H33FN4O/c1-18(2)29-26(32)28-12-15-30-13-10-20(11-14-30)24-17-31(22-7-5-21(27)6-8-22)25-16-19(3)4-9-23(24)25/h4-9,16-18,20H,10-15H2,1-3H3,(H2,28,29,32)
InChIKeyVINVVWQQTYVRCW-UHFFFAOYSA-N
XLogP4.97
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylurea (CID 10365753) is 1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylurea is Cc1ccc2c(C3CCN(CCNC(=O)NC(C)C)CC3)cn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylurea?
The InChIKey is VINVVWQQTYVRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN4O/c1-18(2)29-26(32)28-12-15-30-13-10-20(11-14-30)24-17-31(22-7-5-21(27)6-8-22)25-16-19(3)4-9-23(24)25/h4-9,16-18,20H,10-15H2,1-3H3,(H2,28,29,32).
What are the key properties of 1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylurea?
1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylurea has a molecular weight of 436.58 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 10365753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).