6-[4-[3-(cyclopropanecarbonylamino)phenoxy]piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide

C34H38FN5O4 — CID 66710656

IUPAC6-[4-[3-(cyclopropanecarbonylamino)phenoxy]piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C(=O)N2CCC(Oc3cccc(NC(=O)C4CC4)c3)CC2)nc1
InChIInChI=1S/C34H38FN5O4/c35-26-9-4-23(5-10-26)22-39-16-12-27(13-17-39)37-33(42)25-8-11-31(36-21-25)34(43)40-18-14-29(15-19-40)44-30-3-1-2-28(20-30)38-32(41)24-6-7-24/h1-5,8-11,20-21,24,27,29H,6-7,12-19,22H2,(H,37,42)(H,38,41)
InChIKeyQSFYVVXENQIVBX-UHFFFAOYSA-N
MW599.71 g/mol
LogP4.65
Rot. Bonds9

About 6-[4-[3-(cyclopropanecarbonylamino)phenoxy]piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide

6-[4-[3-(cyclopropanecarbonylamino)phenoxy]piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 66710656) has the molecular formula C34H38FN5O4 and a molecular weight of 599.71 g/mol. Its IUPAC name is 6-[4-[3-(cyclopropanecarbonylamino)phenoxy]piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[3-(cyclopropanecarbonylamino)phenoxy]piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID66710656
Molecular FormulaC34H38FN5O4
Molecular Weight599.71 g/mol
Exact Mass599.29
IUPAC Name6-[4-[3-(cyclopropanecarbonylamino)phenoxy]piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C(=O)N2CCC(Oc3cccc(NC(=O)C4CC4)c3)CC2)nc1
InChIInChI=1S/C34H38FN5O4/c35-26-9-4-23(5-10-26)22-39-16-12-27(13-17-39)37-33(42)25-8-11-31(36-21-25)34(43)40-18-14-29(15-19-40)44-30-3-1-2-28(20-30)38-32(41)24-6-7-24/h1-5,8-11,20-21,24,27,29H,6-7,12-19,22H2,(H,37,42)(H,38,41)
InChIKeyQSFYVVXENQIVBX-UHFFFAOYSA-N
XLogP4.65
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.71
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(cyclopropanecarbonylamino)phenoxy]piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[3-(cyclopropanecarbonylamino)phenoxy]piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 66710656) is 6-[4-[3-(cyclopropanecarbonylamino)phenoxy]piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[3-(cyclopropanecarbonylamino)phenoxy]piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[3-(cyclopropanecarbonylamino)phenoxy]piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C(=O)N2CCC(Oc3cccc(NC(=O)C4CC4)c3)CC2)nc1.
What is the InChIKey of 6-[4-[3-(cyclopropanecarbonylamino)phenoxy]piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is QSFYVVXENQIVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38FN5O4/c35-26-9-4-23(5-10-26)22-39-16-12-27(13-17-39)37-33(42)25-8-11-31(36-21-25)34(43)40-18-14-29(15-19-40)44-30-3-1-2-28(20-30)38-32(41)24-6-7-24/h1-5,8-11,20-21,24,27,29H,6-7,12-19,22H2,(H,37,42)(H,38,41).
What are the key properties of 6-[4-[3-(cyclopropanecarbonylamino)phenoxy]piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
6-[4-[3-(cyclopropanecarbonylamino)phenoxy]piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 599.71 g/mol, XLogP of 4.65, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(cyclopropanecarbonylamino)phenoxy]piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 66710656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).