5-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]prop-1-enyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide

C34H39FN4O3 — CID 123789965

IUPAC5-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]prop-1-enyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESCC=C(c1ccc(C(=O)NC2CCN(Cc3ccc(OC)cc3)CC2)nc1)N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C34H39FN4O3/c1-3-32(39-20-14-26(15-21-39)33(40)25-6-9-28(35)10-7-25)27-8-13-31(36-22-27)34(41)37-29-16-18-38(19-17-29)23-24-4-11-30(42-2)12-5-24/h3-13,22,26,29H,14-21,23H2,1-2H3,(H,37,41)
InChIKeyQFOZMKDNRNSGHA-UHFFFAOYSA-N
MW570.71 g/mol
LogP5.58
Rot. Bonds9

About 5-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]prop-1-enyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide

5-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]prop-1-enyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 123789965) has the molecular formula C34H39FN4O3 and a molecular weight of 570.71 g/mol. Its IUPAC name is 5-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]prop-1-enyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]prop-1-enyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
PubChem CID123789965
Molecular FormulaC34H39FN4O3
Molecular Weight570.71 g/mol
Exact Mass570.30
IUPAC Name5-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]prop-1-enyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESCC=C(c1ccc(C(=O)NC2CCN(Cc3ccc(OC)cc3)CC2)nc1)N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C34H39FN4O3/c1-3-32(39-20-14-26(15-21-39)33(40)25-6-9-28(35)10-7-25)27-8-13-31(36-22-27)34(41)37-29-16-18-38(19-17-29)23-24-4-11-30(42-2)12-5-24/h3-13,22,26,29H,14-21,23H2,1-2H3,(H,37,41)
InChIKeyQFOZMKDNRNSGHA-UHFFFAOYSA-N
XLogP5.58
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.71
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]prop-1-enyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]prop-1-enyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide (CID 123789965) is 5-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]prop-1-enyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]prop-1-enyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]prop-1-enyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide is CC=C(c1ccc(C(=O)NC2CCN(Cc3ccc(OC)cc3)CC2)nc1)N1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 5-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]prop-1-enyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is QFOZMKDNRNSGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39FN4O3/c1-3-32(39-20-14-26(15-21-39)33(40)25-6-9-28(35)10-7-25)27-8-13-31(36-22-27)34(41)37-29-16-18-38(19-17-29)23-24-4-11-30(42-2)12-5-24/h3-13,22,26,29H,14-21,23H2,1-2H3,(H,37,41).
What are the key properties of 5-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]prop-1-enyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
5-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]prop-1-enyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 570.71 g/mol, XLogP of 5.58, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]prop-1-enyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 123789965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).